@MOLECULE {4-[(diaminomethylene)amino]-1-azabicyclo[3.1.0]hex-2-yl}(valylamino)acetic acid 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3144 -2.5884 0.4771 O.3 2 UNK2222222222 -0.5411 2 O 0.5345 -2.6765 -0.7641 O.2 2 UNK2222222222 -0.4988 3 O -2.2642 0.4877 -1.7195 O.2 1 VAL1111111111 -0.5501 4 N 0.9084 1.4245 0.9754 N.3 2 UNK2222222222 -0.3717 5 N 4.1431 0.6548 -0.3011 N.pl3 2 UNK2222222222 -0.5867 6 N -1.5996 -0.0050 0.3801 N.am 2 UNK2222222222 -0.5745 7 N 6.1899 0.3831 -1.3756 N.pl3 2 UNK2222222222 -0.6199 8 N 5.8569 -0.8130 0.6410 N.pl3 2 UNK2222222222 -0.6672 9 N -4.5221 1.8458 -0.9722 N.3 1 VAL1111111111 -0.6137 10 C 2.3480 1.7961 0.8885 C.3 2 UNK2222222222 -0.0736 11 C 1.4062 2.0900 -0.2541 C.3 2 UNK2222222222 -0.1878 12 C 0.8089 -0.0542 0.9185 C.3 2 UNK2222222222 0.0066 13 C 3.2136 0.5289 0.7979 C.3 2 UNK2222222222 0.0783 14 C 2.1931 -0.6219 0.5317 C.3 2 UNK2222222222 -0.3541 15 C -0.3055 -0.4920 -0.0712 C.3 2 UNK2222222222 0.0016 16 C -0.2835 -2.0120 -0.1844 C.2 2 UNK2222222222 0.5990 17 C 5.3145 0.0933 -0.3005 C.cat 2 UNK2222222222 0.5265 18 C -2.5146 0.4756 -0.5313 C.2 1 VAL1111111111 0.5326 19 CA -3.8304 1.0341 0.0396 C.3 1 VAL1111111111 -0.0361 20 CB -4.7157 -0.1345 0.5530 C.3 1 VAL1111111111 -0.0660 21 CG1 -5.9353 0.4364 1.2818 C.3 1 VAL1111111111 -0.4504 22 CG2 -5.1566 -1.0646 -0.5802 C.3 1 VAL1111111111 -0.4582 23 H 2.7225 2.5901 1.5308 H 2 UNK2222222222 0.1671 24 H 1.5130 1.5525 -1.1975 H 2 UNK2222222222 0.1692 25 H 1.0296 3.1039 -0.4061 H 2 UNK2222222222 0.1678 26 H 0.5339 -0.3746 1.9596 H 2 UNK2222222222 0.1582 27 H 3.7068 0.3720 1.7889 H 2 UNK2222222222 0.1132 28 H 2.4427 -1.5289 1.0977 H 2 UNK2222222222 0.1556 29 H 2.2321 -0.9214 -0.5364 H 2 UNK2222222222 0.1908 30 H -0.0891 -0.0771 -1.1070 H 2 UNK2222222222 0.2137 31 H -1.7822 -0.0379 1.3680 H 2 UNK2222222222 0.3212 32 HA -3.5949 1.7170 0.9014 H 1 VAL1111111111 0.1626 33 H -1.3383 -3.5743 0.3769 H 2 UNK2222222222 0.3548 34 HB -4.1133 -0.7337 1.2745 H 1 VAL1111111111 0.1326 35 H 5.7727 0.9619 -2.0961 H 2 UNK2222222222 0.3034 36 H 6.6808 -0.4099 -1.7612 H 2 UNK2222222222 0.2871 37 H 6.8593 -0.8825 0.6847 H 2 UNK2222222222 0.2950 38 H 5.4316 -0.8160 1.5516 H 2 UNK2222222222 0.2892 39 H1 -4.8615 1.2766 -1.7353 H 1 VAL1111111111 0.2591 40 H2 -3.9052 2.5480 -1.3633 H 1 VAL1111111111 0.2588 41 HG11 -6.6352 -0.3533 1.5708 H 1 VAL1111111111 0.1417 42 HG12 -5.6491 0.9823 2.1857 H 1 VAL1111111111 0.1397 43 HG13 -6.4816 1.1435 0.6390 H 1 VAL1111111111 0.1696 44 HG21 -4.3124 -1.3606 -1.2161 H 1 VAL1111111111 0.1573 45 HG22 -5.9084 -0.5938 -1.2248 H 1 VAL1111111111 0.1511 46 HG23 -5.6053 -1.9819 -0.1832 H 1 VAL1111111111 0.1465 @BOND 1 1 16 1 2 1 33 1 3 2 16 2 4 3 18 2 5 4 10 1 6 4 11 1 7 4 12 1 8 5 13 1 9 5 17 2 10 6 15 1 11 6 18 am 12 6 31 1 13 7 17 1 14 7 35 1 15 7 36 1 16 8 17 1 17 8 37 1 18 8 38 1 19 9 19 1 20 9 39 1 21 9 40 1 22 10 11 1 23 10 13 1 24 10 23 1 25 11 24 1 26 11 25 1 27 12 14 1 28 12 15 1 29 12 26 1 30 13 14 1 31 13 27 1 32 14 28 1 33 14 29 1 34 15 16 1 35 15 30 1 36 18 19 1 37 19 20 1 38 19 32 1 39 20 21 1 40 20 22 1 41 20 34 1 42 21 41 1 43 21 42 1 44 21 43 1 45 22 44 1 46 22 45 1 47 22 46 1