@MOLECULE ((2s)-7-(4,4'-bipiperidin-1-ylcarbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-2-yl)acetic acid 63 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6235 2.9172 1.7496 O.2 1 UNL1111111111 -0.5161 2 O 4.0563 -1.7845 -2.1273 O.2 1 UNL1111111111 -0.5187 3 O 5.7986 -1.8781 2.3018 O.3 1 UNL1111111111 -0.5833 4 O 7.5796 -0.9088 1.3695 O.2 1 UNL1111111111 -0.4793 5 N -2.0582 2.1423 -0.3410 N.am 1 UNL1111111111 -0.4820 6 N -7.4616 -2.7079 0.0456 N.3 1 UNL1111111111 -0.5404 7 N 3.8353 -0.2376 0.8324 N.pl3 1 UNL1111111111 -0.5494 8 N 3.4602 0.4040 -2.2399 N.am 1 UNL1111111111 -0.4526 9 C -4.3424 0.2805 -0.4798 C.3 1 UNL1111111111 -0.1123 10 C -5.2250 -0.8134 0.1668 C.3 1 UNL1111111111 -0.1141 11 C -4.3808 1.5673 0.3657 C.3 1 UNL1111111111 -0.3182 12 C -2.8835 -0.1957 -0.6041 C.3 1 UNL1111111111 -0.3174 13 C -6.6974 -0.3651 0.2129 C.3 1 UNL1111111111 -0.2865 14 C -5.1568 -2.1292 -0.6291 C.3 1 UNL1111111111 -0.2877 15 C -3.4410 2.6393 -0.2153 C.3 1 UNL1111111111 -0.0755 16 C -1.9891 0.9259 -1.1663 C.3 1 UNL1111111111 -0.0752 17 C -7.5779 -1.4626 0.8381 C.3 1 UNL1111111111 -0.1039 18 C -6.0641 -3.1952 0.0126 C.3 1 UNL1111111111 -0.1038 19 C -1.2529 2.2518 0.8029 C.2 1 UNL1111111111 0.5810 20 C 0.0904 1.6235 0.7636 C.ar 1 UNL1111111111 -0.2175 21 C 0.9877 1.8942 -0.2631 C.ar 1 UNL1111111111 -0.0438 22 C 2.2414 1.2874 -0.2940 C.ar 1 UNL1111111111 -0.2074 23 C 0.4575 0.7725 1.8105 C.ar 1 UNL1111111111 -0.0155 24 C 2.6041 0.3929 0.7360 C.ar 1 UNL1111111111 0.2865 25 C 3.1598 1.6017 -1.4377 C.3 1 UNL1111111111 -0.0645 26 C 4.7694 -0.4035 -0.2839 C.3 1 UNL1111111111 0.0240 27 C 1.6933 0.1536 1.7962 C.ar 1 UNL1111111111 -0.2985 28 C 4.0345 -0.6852 -1.6159 C.2 1 UNL1111111111 0.5246 29 C 5.6995 -1.6032 -0.0190 C.3 1 UNL1111111111 -0.3779 30 C 2.5673 0.1545 -3.3770 C.3 1 UNL1111111111 -0.2379 31 C 6.4952 -1.4010 1.2309 C.2 1 UNL1111111111 0.6500 32 H -4.7378 0.5031 -1.4988 H 1 UNL1111111111 0.1362 33 H -4.8646 -0.9968 1.2057 H 1 UNL1111111111 0.1357 34 H -4.0868 1.3465 1.4103 H 1 UNL1111111111 0.1576 35 H -5.4068 1.9724 0.4163 H 1 UNL1111111111 0.1430 36 H -2.8159 -1.0775 -1.2664 H 1 UNL1111111111 0.1449 37 H -2.5066 -0.5211 0.3832 H 1 UNL1111111111 0.1504 38 H -7.0547 -0.1499 -0.8129 H 1 UNL1111111111 0.1530 39 H -6.8118 0.5675 0.7917 H 1 UNL1111111111 0.1345 40 H -4.1239 -2.5145 -0.6767 H 1 UNL1111111111 0.1325 41 H -5.4813 -1.9524 -1.6728 H 1 UNL1111111111 0.1530 42 H -3.7816 2.9573 -1.2247 H 1 UNL1111111111 0.1363 43 H -3.4487 3.5489 0.4320 H 1 UNL1111111111 0.1641 44 H -0.9390 0.5724 -1.2474 H 1 UNL1111111111 0.1429 45 H -2.3128 1.1965 -2.1973 H 1 UNL1111111111 0.1424 46 H -8.6441 -1.1471 0.8106 H 1 UNL1111111111 0.1338 47 H -7.3031 -1.6048 1.9049 H 1 UNL1111111111 0.1089 48 H -5.6783 -3.4613 1.0199 H 1 UNL1111111111 0.1084 49 H -6.0466 -4.1212 -0.6031 H 1 UNL1111111111 0.1334 50 H -8.0829 -3.4263 0.4136 H 1 UNL1111111111 0.2493 51 H 0.7002 2.5921 -1.0541 H 1 UNL1111111111 0.1607 52 H -0.2387 0.6010 2.6360 H 1 UNL1111111111 0.1665 53 H 4.1193 2.0398 -1.0667 H 1 UNL1111111111 0.1556 54 H 2.7276 2.3839 -2.1061 H 1 UNL1111111111 0.1576 55 H 5.3854 0.5354 -0.3809 H 1 UNL1111111111 0.1743 56 H 1.9717 -0.5175 2.6054 H 1 UNL1111111111 0.1672 57 H 3.9520 -0.9292 1.5736 H 1 UNL1111111111 0.3292 58 H 6.3861 -1.7437 -0.8879 H 1 UNL1111111111 0.2068 59 H 5.1090 -2.5511 0.0226 H 1 UNL1111111111 0.2106 60 H 2.8646 -0.7760 -3.9006 H 1 UNL1111111111 0.1742 61 H 1.5160 0.0435 -3.0621 H 1 UNL1111111111 0.1415 62 H 2.6461 0.9853 -4.0981 H 1 UNL1111111111 0.1472 63 H 6.2660 -1.7674 3.1654 H 1 UNL1111111111 0.3619 @BOND 1 1 19 2 2 2 28 2 3 3 31 1 4 3 63 1 5 4 31 2 6 5 15 1 7 5 16 1 8 5 19 am 9 6 17 1 10 6 18 1 11 6 50 1 12 7 24 1 13 7 26 1 14 7 57 1 15 8 25 1 16 8 28 am 17 8 30 1 18 9 10 1 19 9 11 1 20 9 12 1 21 9 32 1 22 10 13 1 23 10 14 1 24 10 33 1 25 11 15 1 26 11 34 1 27 11 35 1 28 12 16 1 29 12 36 1 30 12 37 1 31 13 17 1 32 13 38 1 33 13 39 1 34 14 18 1 35 14 40 1 36 14 41 1 37 15 42 1 38 15 43 1 39 16 44 1 40 16 45 1 41 17 46 1 42 17 47 1 43 18 48 1 44 18 49 1 45 19 20 1 46 20 21 ar 47 20 23 ar 48 21 22 ar 49 21 51 1 50 22 24 ar 51 22 25 1 52 23 27 ar 53 23 52 1 54 24 27 ar 55 25 53 1 56 25 54 1 57 26 28 1 58 26 29 1 59 26 55 1 60 27 56 1 61 29 31 1 62 29 58 1 63 29 59 1 64 30 60 1 65 30 61 1 66 30 62 1