@MOLECULE (1s,3s,5s)-2-{(2s)-2-amino-2-[(1r,3r,5r,7s)-3-hydroxyadamantan-1-yl]acetyl}-2-azabicyclo[3.1.0]hexane-3-carbonitrile 48 52 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.5049 -2.8946 0.3435 O.3 1 UNL11111111 -0.5881 2 O 1.3694 2.0906 -1.0968 O.2 1 UNL11111111 -0.5338 3 N 2.2295 0.6077 0.3286 N.am 1 UNL11111111 -0.5096 4 N -0.3794 3.1128 0.8121 N.3 1 UNL11111111 -0.6154 5 N 2.3740 -1.1031 -2.6370 N.1 1 UNL11111111 -0.2248 6 C -1.1740 0.7858 0.3513 C.3 1 UNL11111111 0.0806 7 C -1.9612 -1.5751 0.1135 C.3 1 UNL11111111 0.3478 8 C -3.5907 0.1831 0.7765 C.3 1 UNL11111111 -0.0800 9 C -2.6697 0.1150 -1.5671 C.3 1 UNL11111111 -0.0661 10 C -0.7802 -0.6897 0.5470 C.3 1 UNL11111111 -0.3472 11 C -2.4218 1.0864 1.2094 C.3 1 UNL11111111 -0.2854 12 C -1.5028 1.0232 -1.1355 C.3 1 UNL11111111 -0.3076 13 C -3.2040 -1.2930 0.9771 C.3 1 UNL11111111 -0.3513 14 C -2.2749 -1.3601 -1.3766 C.3 1 UNL11111111 -0.3542 15 C -3.9096 0.4329 -0.7099 C.3 1 UNL11111111 -0.2981 16 C 0.0007 1.6920 0.8406 C.3 1 UNL11111111 -0.0484 17 C 2.2998 -0.2022 1.5223 C.3 1 UNL11111111 0.0349 18 C 3.6240 -0.9700 1.4822 C.3 1 UNL11111111 -0.1644 19 C 2.3131 -1.7148 1.3536 C.3 1 UNL11111111 -0.3493 20 C 4.3361 -0.5999 0.1934 C.3 1 UNL11111111 -0.2811 21 C 1.2255 1.4737 -0.0591 C.2 1 UNL11111111 0.5299 22 C 3.3191 0.2659 -0.6154 C.3 1 UNL11111111 0.1199 23 C 2.7920 -0.4984 -1.7457 C.1 1 UNL11111111 0.0705 24 H -4.4855 0.4189 1.3933 H 1 UNL11111111 0.1220 25 H -2.9002 0.3003 -2.6402 H 1 UNL11111111 0.1313 26 H 0.1070 -0.9571 -0.0556 H 1 UNL11111111 0.1590 27 H -0.5166 -0.9078 1.5962 H 1 UNL11111111 0.1527 28 H -2.1975 0.9382 2.2796 H 1 UNL11111111 0.1375 29 H -2.7026 2.1524 1.1076 H 1 UNL11111111 0.1604 30 H -1.7675 2.0805 -1.3121 H 1 UNL11111111 0.1458 31 H -0.6180 0.8248 -1.7706 H 1 UNL11111111 0.1587 32 H -2.9832 -1.5034 2.0376 H 1 UNL11111111 0.1491 33 H -4.0360 -1.9586 0.6998 H 1 UNL11111111 0.1354 34 H -3.0829 -2.0283 -1.7131 H 1 UNL11111111 0.1379 35 H -1.3903 -1.6118 -1.9912 H 1 UNL11111111 0.1622 36 H -4.7645 -0.1873 -1.0277 H 1 UNL11111111 0.1321 37 H -4.2170 1.4827 -0.8604 H 1 UNL11111111 0.1384 38 H 1.8905 0.2630 2.4180 H 1 UNL11111111 0.1682 39 H 0.2313 1.4298 1.9057 H 1 UNL11111111 0.1594 40 H 4.2529 -1.1097 2.3550 H 1 UNL11111111 0.1649 41 H 2.0290 -2.1686 0.4048 H 1 UNL11111111 0.1835 42 H 1.9627 -2.3432 2.1680 H 1 UNL11111111 0.1718 43 H 4.6530 -1.4951 -0.3707 H 1 UNL11111111 0.1672 44 H 5.2534 -0.0209 0.4007 H 1 UNL11111111 0.1588 45 H 3.7861 1.2227 -0.9897 H 1 UNL11111111 0.1869 46 H -2.1313 -3.5551 0.0037 H 1 UNL11111111 0.3174 47 H -0.6576 3.4056 -0.1163 H 1 UNL11111111 0.2662 48 H 0.3775 3.7068 1.1168 H 1 UNL11111111 0.2545 @BOND 1 25 9 1 2 5 23 3 3 35 14 1 4 31 12 1 5 23 22 1 6 34 14 1 7 9 14 1 8 9 12 1 9 9 15 1 10 14 7 1 11 30 12 1 12 12 6 1 13 2 21 2 14 36 15 1 15 45 22 1 16 37 15 1 17 15 8 1 18 22 20 1 19 22 3 1 20 43 20 1 21 47 4 1 22 21 3 am 23 21 16 1 24 26 10 1 25 46 1 1 26 7 1 1 27 7 10 1 28 7 13 1 29 20 44 1 30 20 18 1 31 3 17 1 32 6 10 1 33 6 16 1 34 6 11 1 35 41 19 1 36 10 27 1 37 33 13 1 38 8 13 1 39 8 11 1 40 8 24 1 41 4 16 1 42 4 48 1 43 16 39 1 44 13 32 1 45 29 11 1 46 11 28 1 47 19 18 1 48 19 17 1 49 19 42 1 50 18 17 1 51 18 40 1 52 17 38 1