@MOLECULE n-[(2s)-2-carboxy-1-pyrrolidinyl]-l-glutamine 35 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9732 2.4236 0.0665 O.3 1 UNL1111111111 -0.5867 2 O -2.4128 1.6781 1.4679 O.2 1 UNL1111111111 -0.2824 3 O 0.0415 -1.1703 1.4893 O.2 1 UNL1111111111 -0.2794 4 O 3.9007 0.4137 -1.9328 O.3 1 UNL1111111111 -0.5128 5 OXT 4.6704 1.7499 -0.3207 O.2 1 UNL1111111111 -0.3169 6 N -2.1565 -0.6984 -0.0327 N.3 1 UNL1111111111 -0.2679 7 N -0.8581 -0.7098 -0.5795 N.am 1 UNL1111111111 -0.7532 8 N 5.1081 -0.5920 1.2167 N.3 1 UNL1111111111 -1.0860 9 C -2.9920 0.4119 -0.5858 C.3 1 UNL1111111111 0.4544 10 C -4.3968 -0.1647 -0.8680 C.3 1 UNL1111111111 -0.2260 11 C -4.3459 -1.6393 -0.4386 C.3 1 UNL1111111111 -0.5816 12 C -2.8542 -1.9879 -0.3427 C.3 1 UNL1111111111 -0.1772 13 C -3.0414 1.5035 0.4676 C.2 1 UNL1111111111 0.1864 14 C 0.1928 -0.8337 0.3454 C.2 1 UNL1111111111 0.4658 15 C 1.5564 -0.6282 -0.2985 C.3 1 UNL1111111111 -0.2499 16 C 2.6140 -0.4975 0.7971 C.3 1 UNL1111111111 -0.8119 17 CA 4.0376 -0.5648 0.2081 C.3 1 UNL1111111111 0.4634 18 C 4.2698 0.6678 -0.6498 C.2 1 UNL1111111111 0.2330 19 H -2.5681 0.8671 -1.5186 H 1 UNL1111111111 0.0715 20 H -4.6497 -0.0634 -1.9370 H 1 UNL1111111111 0.1149 21 H -5.1862 0.3852 -0.3224 H 1 UNL1111111111 0.1806 22 H -4.8408 -1.7808 0.5403 H 1 UNL1111111111 0.2444 23 H -4.8746 -2.2950 -1.1487 H 1 UNL1111111111 0.2188 24 H -2.6302 -2.6744 0.5035 H 1 UNL1111111111 0.2065 25 H -2.4852 -2.4724 -1.2664 H 1 UNL1111111111 0.1764 26 H -0.7193 -0.3062 -1.4975 H 1 UNL1111111111 0.4115 27 H 1.7798 -1.4941 -0.9583 H 1 UNL1111111111 0.2018 28 H 1.5719 0.2606 -0.9596 H 1 UNL1111111111 0.1848 29 H 2.4611 0.4407 1.3683 H 1 UNL1111111111 0.2851 30 H 2.4812 -1.3096 1.5464 H 1 UNL1111111111 0.2640 31 HA 4.1487 -1.4924 -0.4225 H 1 UNL1111111111 0.1518 32 H -4.0689 3.1855 0.6851 H 1 UNL1111111111 0.4036 33 H1 4.9658 -1.3159 1.9023 H 1 UNL1111111111 0.4126 34 H2 5.2273 0.2992 1.6793 H 1 UNL1111111111 0.4312 35 H 4.0522 1.1699 -2.5497 H 1 UNL1111111111 0.3695 @BOND 1 1 13 1 2 1 32 1 3 2 13 2 4 3 14 2 5 4 18 1 6 4 35 1 7 5 18 2 8 6 7 1 9 6 9 1 10 6 12 1 11 7 14 am 12 7 26 1 13 8 17 1 14 8 33 1 15 8 34 1 16 9 10 1 17 9 13 1 18 9 19 1 19 10 11 1 20 10 20 1 21 10 21 1 22 11 12 1 23 11 22 1 24 11 23 1 25 12 24 1 26 12 25 1 27 14 15 1 28 15 16 1 29 15 27 1 30 15 28 1 31 16 17 1 32 16 29 1 33 16 30 1 34 17 18 1 35 17 31 1