@MOLECULE benzyl [(4r)-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.7170 -4.0051 -0.2079 C.ar 1 UNL1111111111 -0.1272 2 C -6.7886 -0.8408 1.7071 C.ar 1 UNL1111111111 -0.1391 3 C 4.9639 -2.8452 0.5267 C.ar 1 UNL1111111111 -0.1530 4 C 3.5712 -4.1050 -0.9946 C.ar 1 UNL1111111111 -0.1639 5 C 1.0038 -0.4945 3.2844 C.ar 1 UNL1111111111 -0.1564 6 C -6.6170 0.4200 1.1375 C.ar 1 UNL1111111111 -0.1553 7 C -6.0730 -1.9316 1.2155 C.ar 1 UNL1111111111 -0.1565 8 C 0.9623 0.8854 3.4818 C.ar 1 UNL1111111111 -0.0852 9 C 4.0605 -1.7872 0.4834 C.ar 1 UNL1111111111 -0.1279 10 C 2.6657 -3.0473 -1.0472 C.ar 1 UNL1111111111 -0.0898 11 C 1.3301 -1.0074 2.0337 C.ar 1 UNL1111111111 -0.0829 12 C -5.7332 0.5912 0.0741 C.ar 1 UNL1111111111 -0.1300 13 C -5.1885 -1.7638 0.1521 C.ar 1 UNL1111111111 -0.1330 14 C 1.2383 1.7520 2.4305 C.ar 1 UNL1111111111 -0.2069 15 C 2.9075 -1.8942 -0.2984 C.ar 1 UNL1111111111 -0.0534 16 C 1.6170 -0.1551 0.9640 C.ar 1 UNL1111111111 -0.1588 17 C -5.0243 -0.5031 -0.4234 C.ar 1 UNL1111111111 -0.0400 18 C 1.5656 1.2342 1.1700 C.ar 1 UNL1111111111 0.1723 19 C 1.3125 1.9671 -1.2193 C.ar 1 UNL1111111111 0.0712 20 C 2.4712 3.3653 0.1014 C.ar 1 UNL1111111111 0.2034 21 C 1.9526 -0.7624 -0.3477 C.2 1 UNL1111111111 0.2423 22 C -1.7876 0.2089 -1.7755 C.2 1 UNL1111111111 0.7302 23 C 0.6137 0.7291 -1.7150 C.3 1 UNL1111111111 0.2817 24 C 3.1979 3.9487 1.2377 C.3 1 UNL1111111111 -0.4364 25 C -4.0714 -0.3187 -1.5639 C.3 1 UNL1111111111 -0.0147 26 N 1.6685 3.0513 -1.9287 N.ar 1 UNL1111111111 -0.1588 27 N 2.3660 3.8861 -1.1416 N.ar 1 UNL1111111111 -0.2164 28 N 1.4991 -0.4161 -1.4984 N.2 1 UNL1111111111 -0.4212 29 N 1.7976 2.1267 0.0990 N.ar 1 UNL1111111111 -0.3306 30 N -0.6776 0.5804 -1.0400 N.am 1 UNL1111111111 -0.6335 31 O -1.8546 0.1013 -2.9765 O.2 1 UNL1111111111 -0.5262 32 O -2.8262 -0.0052 -0.9113 O.3 1 UNL1111111111 -0.4187 33 H 5.4247 -4.8311 -0.1702 H 1 UNL1111111111 0.1469 34 H 5.8648 -2.7647 1.1314 H 1 UNL1111111111 0.1515 35 H 3.3856 -5.0066 -1.5748 H 1 UNL1111111111 0.1520 36 H -7.4796 -0.9733 2.5371 H 1 UNL1111111111 0.1480 37 H -7.1715 1.2719 1.5255 H 1 UNL1111111111 0.1500 38 H -6.2033 -2.9140 1.6639 H 1 UNL1111111111 0.1487 39 H 4.2560 -0.8787 1.0510 H 1 UNL1111111111 0.1547 40 H 1.7771 -3.1070 -1.6795 H 1 UNL1111111111 0.1738 41 H 0.7774 -1.1708 4.1085 H 1 UNL1111111111 0.1649 42 H 0.7013 1.2892 4.4614 H 1 UNL1111111111 0.1622 43 H 1.3631 -2.0901 1.8794 H 1 UNL1111111111 0.1732 44 H -5.5912 1.5789 -0.3630 H 1 UNL1111111111 0.1574 45 H -4.6226 -2.6143 -0.2248 H 1 UNL1111111111 0.1544 46 H 1.1741 2.8298 2.5805 H 1 UNL1111111111 0.1751 47 H -3.9314 -1.2307 -2.1746 H 1 UNL1111111111 0.1463 48 H -4.3405 0.5212 -2.2328 H 1 UNL1111111111 0.1490 49 H 0.4488 0.7956 -2.8468 H 1 UNL1111111111 0.2355 50 H 2.5592 4.6290 1.8276 H 1 UNL1111111111 0.1775 51 H 3.6105 3.1889 1.9195 H 1 UNL1111111111 0.1713 52 H 4.0506 4.5605 0.8797 H 1 UNL1111111111 0.1953 53 H -0.7143 0.5978 -0.0317 H 1 UNL1111111111 0.3271 @BOND 1 1 3 ar 2 1 4 ar 3 1 33 1 4 2 6 ar 5 2 7 ar 6 2 36 1 7 3 9 ar 8 3 34 1 9 4 10 ar 10 4 35 1 11 5 8 ar 12 5 11 ar 13 5 41 1 14 6 12 ar 15 6 37 1 16 7 13 ar 17 7 38 1 18 8 14 ar 19 8 42 1 20 9 15 ar 21 9 39 1 22 10 15 ar 23 10 40 1 24 11 16 ar 25 11 43 1 26 12 17 ar 27 12 44 1 28 13 17 ar 29 13 45 1 30 14 18 ar 31 14 46 1 32 15 21 1 33 16 18 ar 34 16 21 1 35 17 25 1 36 18 29 1 37 19 23 1 38 19 26 ar 39 19 29 ar 40 20 24 1 41 20 27 ar 42 20 29 ar 43 21 28 2 44 22 30 am 45 22 31 2 46 22 32 1 47 23 28 1 48 23 30 1 49 23 49 1 50 24 50 1 51 24 51 1 52 24 52 1 53 25 32 1 54 25 47 1 55 25 48 1 56 26 27 ar 57 30 53 1