C6H11NO2 APtclserve06260802292D 0 0.00000 0.00000 1 20 20 0 0 1 0 0 0 0 0999 V2000 2.8384 1.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 1.3971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5704 1.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 0.3971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2568 0.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -1.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5920 -1.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -1.9507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 2.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 -0.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8234 0.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 -1.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8108 -1.2706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -2.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 0.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -0.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 1 0 0 0 2 4 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 6 0 0 0 8 11 1 0 0 0 0 4 11 1 0 0 0 0 3 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 M END > N[C@H]1CC[C@H](C1)[C@](O)=O > O=[C@](O)[C@@H]1CC[C@H](N)C1 $$$$ C6H11NO2 APtclserve06260802292D 0 0.00000 0.00000 2 20 20 0 0 1 0 0 0 0 0999 V2000 2.8384 1.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 1.3971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5704 1.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 0.3971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2568 0.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -1.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5920 -1.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -1.9507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 2.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 -0.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8234 0.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 -1.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8108 -1.2706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -2.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 0.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -0.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 1 0 0 0 2 4 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 1 0 0 0 8 11 1 0 0 0 0 4 11 1 0 0 0 0 3 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 M END > N[C@@H]1CC[C@H](C1)[C@](O)=O > O=[C@](O)[C@@H]1CC[C@@H](N)C1 $$$$ C6H11NO2 APtclserve06260802292D 0 0.00000 0.00000 3 20 20 0 0 1 0 0 0 0 0999 V2000 2.8384 1.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 1.3971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7044 0.3971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2568 0.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -1.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5920 -1.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -1.9507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 1.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 -0.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8234 0.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 -1.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8108 -1.2706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -2.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 0.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -0.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 2.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 6 0 0 0 7 10 1 0 0 0 0 3 10 1 0 0 0 0 2 11 1 1 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 M END > N[C@H]1CC[C@@H](C1)[C@](O)=O > O=[C@@]([C@H]1CC[C@H](N)C1)O $$$$ C7H13NO2 APtclserve06260802292D 0 0.00000 0.00000 4 23 23 0 0 1 0 0 0 0 0999 V2000 3.2688 2.6634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 1.6634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8213 1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 1.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 0.1246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1565 0.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -1.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -1.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0779 1.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 2.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 2.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1498 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 0.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 -0.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -1.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 -2.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -0.4920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3753 -0.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 0.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 M END > N[C@H]1CC[C@H](C1)CC(O)=O > N[C@@H]1C[C@H](CC(O)=O)CC1 $$$$ C7H13NO2 APtclserve06260802292D 0 0.00000 0.00000 5 23 23 0 0 1 0 0 0 0 0999 V2000 3.2688 2.6634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 1.6634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8213 1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 1.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 0.1246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1565 0.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -1.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -1.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0779 1.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 2.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 2.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1498 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 0.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 -0.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -1.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 -2.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -0.4920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3753 -0.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 0.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 M END > N[C@@H]1CC[C@H](C1)CC(O)=O > N[C@H]1C[C@H](CC(O)=O)CC1 $$$$ C7H13NO2 APtclserve06260802292D 0 0.00000 0.00000 6 23 23 0 0 1 0 0 0 0 0999 V2000 3.2688 2.6634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 1.6634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8213 1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 1.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 0.1246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1565 0.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -1.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -1.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0779 1.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 2.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 2.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1498 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 0.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 -0.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -1.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 -2.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -0.4920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3753 -0.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 0.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 M END > N[C@H]1CC[C@@H](C1)CC(O)=O > N[C@@H]1C[C@@H](CC(O)=O)CC1 $$$$ C6H11NO3 APtclserve06260802292D 0 0.00000 0.00000 7 21 21 0 0 1 0 0 0 0 0999 V2000 2.1166 -1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 -0.9430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0920 -0.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 0.5958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7922 1.4049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7867 1.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 2.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 1.4049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3688 -2.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0854 0.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -0.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1511 1.8019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 1.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5798 -0.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3234 0.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6396 -1.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3108 -1.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 2 0 0 0 0 5 9 1 6 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 2 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 7 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M END > N[C@@]1(CC[C@H](O)C1)[C@](O)=O > O[C@@H]1C[C@]([C@@](O)=O)(N)CC1 $$$$ C6H11NO3 APtclserve06260802292D 0 0.00000 0.00000 8 21 21 0 0 1 0 0 0 0 0999 V2000 2.6166 1.4049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 0.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7922 1.4049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7867 1.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 2.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 -0.9430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0920 -0.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1166 -1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 1.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1511 1.8019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5798 -0.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3234 0.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6396 -1.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3108 -1.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3688 -2.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0854 0.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -0.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 1 0 0 0 8 11 1 0 0 0 0 2 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 4 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M END > N[C@]1(CC[C@@H](O)C1)[C@](O)=O > N[C@@]1([C@](O)=O)CC[C@@H](O)C1 $$$$ C7H13NO3 APtclserve06260802292D 0 0.00000 0.00000 9 24 24 0 0 1 0 0 0 0 0999 V2000 2.5897 -1.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -1.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1869 -0.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 -0.6356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 1.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8249 0.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5929 -2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 -2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 -0.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 -0.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8808 0.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 0.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4683 -1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2119 -0.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5281 -2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1993 -2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9864 -2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 -2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 3 12 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 8 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > OC[C@@H]1CCCN1CC(O)=O > OC[C@H]1N(CC(O)=O)CCC1 $$$$ C6H11NO2 APtclserve06260802292D 0 0.00000 0.00000 10 20 20 0 0 1 0 0 0 0 0999 V2000 2.8384 1.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 1.3971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7044 0.3971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2568 0.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -1.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5920 -1.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -1.9507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 1.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 -0.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8234 0.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 -1.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8108 -1.2706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -2.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 0.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -0.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 2.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 1 0 0 0 7 10 1 0 0 0 0 3 10 1 0 0 0 0 2 11 1 1 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 M END > N[C@@H]1CC[C@@H](C1)[C@](O)=O > O=[C@@]([C@H]1CC[C@@H](N)C1)O $$$$ C7H13NO2 APtclserve06260802292D 0 0.00000 0.00000 11 23 23 0 0 1 0 0 0 0 0999 V2000 3.2688 2.6634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 1.6634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8213 1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 1.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 0.1246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1565 0.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -1.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -1.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0779 1.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 2.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 2.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1498 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 0.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 -0.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -1.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 -2.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -0.4920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3753 -0.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 0.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 M END > N[C@@H]1CC[C@@H](C1)CC(O)=O > N[C@H]1C[C@@H](CC(O)=O)CC1 $$$$ C7H13NO3 APtclserve06260802292D 0 0.00000 0.00000 12 24 24 0 0 1 0 0 0 0 0999 V2000 2.5897 -1.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -1.2234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1869 -0.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 -0.6356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 1.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8249 0.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5929 -2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 -2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 -0.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 -0.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8808 0.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 0.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4683 -1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2119 -0.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5281 -2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1993 -2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9864 -2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 -2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 3 12 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 8 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > OC[C@H]1CCCN1CC(O)=O > OC[C@@H]1N(CC(O)=O)CCC1 $$$$ C8H13NO2 APtclserve06260802292D 0 0.00000 0.00000 13 24 25 0 0 1 0 0 0 0 0999 V2000 2.1506 -0.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -1.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 -2.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8236 -1.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0824 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5824 0.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0733 1.6672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4535 2.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9053 0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6464 -0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 0.7013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8550 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3367 2.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8777 -1.8823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4413 -1.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 1.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0347 0.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4966 0.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1173 1.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4344 -0.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2377 -0.2440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6545 3.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7236 2.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 5 11 1 0 0 0 0 11 13 1 0 0 0 0 7 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 M END > OC(=O)CN1C[C@H]2CC[C@@H]1C2 > O=C(O)CN1C[C@H]2CC[C@@H]1C2 $$$$ C8H13NO2 APtclserve06260802292D 0 0.00000 0.00000 14 24 25 0 0 1 0 0 0 0 0999 V2000 2.5989 -2.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -1.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8236 -1.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0824 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5824 0.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0733 1.6672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4535 2.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9053 0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6464 -0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 0.7013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8550 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3367 2.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1506 -0.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8777 -1.8823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4413 -1.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 1.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0347 0.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4966 0.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1173 1.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4344 -0.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2377 -0.2440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6545 3.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7236 2.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 4 10 1 0 0 0 0 10 12 1 0 0 0 0 6 12 1 0 0 0 0 2 13 2 0 0 0 0 1 14 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > OC(=O)CN1C[C@@H]2CC[C@H]1C2 > OC(CN1C[C@@H]2CC[C@H]1C2)=O $$$$ C7H13NO2 APtclserve06260802292D 0 0.00000 0.00000 15 23 22 0 0 1 0 0 0 0 0999 V2000 6.3301 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.9400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1951 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 1.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 1 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 2 11 2 0 0 0 0 1 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 M END > N[C@H](CCC=C)CC(O)=O > OC(C[C@H](N)CCC=C)=O $$$$ C7H13NO2 APtclserve06260802292D 0 0.00000 0.00000 16 23 22 0 0 1 0 0 0 0 0999 V2000 6.3301 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.9400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1951 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 1.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 6 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 2 11 2 0 0 0 0 1 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 M END > N[C@@H](CCC=C)CC(O)=O > OC(C[C@@H](N)CCC=C)=O $$$$ C5H12N2O2 APtclserve06260802292D 0 0.00000 0.00000 17 21 20 0 0 1 0 0 0 0 0999 V2000 6.0010 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 1 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 2 10 2 0 0 0 0 1 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 M END > NCC[C@@H](N)CC(O)=O > OC(C[C@H](N)CCN)=O $$$$ C5H12N2O2 APtclserve06260802292D 0 0.00000 0.00000 18 21 20 0 0 1 0 0 0 0 0999 V2000 6.0010 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 6 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 2 10 2 0 0 0 0 1 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 M END > NCC[C@H](N)CC(O)=O > OC(C[C@@H](N)CCN)=O $$$$ C6H11NO3 APtclserve06260802292D 0 0.00000 0.00000 19 21 21 0 0 1 0 0 0 0 0999 V2000 2.0000 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -1.4867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9754 -1.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 0.0521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 2.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 1.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 0.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 -0.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 1.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4772 0.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 -0.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 0.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -2.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -1.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 2 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 8 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M END > O[C@@H]1CCN(C1)CC(O)=O > O[C@H]1CN(CC(O)=O)CC1 $$$$ C6H11NO3 APtclserve06260802292D 0 0.00000 0.00000 20 21 21 0 0 1 0 0 0 0 0999 V2000 2.0000 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -1.4867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9754 -1.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 0.0521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 2.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 1.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 0.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 -0.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 1.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4772 0.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 -0.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 0.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -2.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -1.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 2 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 8 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M END > O[C@H]1CCN(C1)CC(O)=O > O[C@@H]1CN(CC(O)=O)CC1 $$$$ C5H11NO3 APtclserve06260802292D 0 0.00000 0.00000 21 20 19 0 0 1 0 0 0 0 0999 V2000 7.7331 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8059 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 6 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 2 10 2 0 0 0 0 1 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 M END > NC[C@@H](O)CCC(O)=O > OC(CC[C@H](O)CN)=O $$$$ C5H11NO3 APtclserve06260802292D 0 0.00000 0.00000 22 20 19 0 0 1 0 0 0 0 0999 V2000 7.7331 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8059 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 2 10 2 0 0 0 0 1 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 M END > NC[C@H](O)CCC(O)=O > OC(CC[C@@H](O)CN)=O $$$$