@MOLECULE ethanamine, 2-((8-chloro-1-methyl-6-phenyl-6h-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-n,n-dimethyl- 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.7266 3.9521 1.2128 Cl 1 UNL1111111111 -0.0574 2 S -1.5534 -2.4231 -0.7795 S.3 1 UNL1111111111 0.0631 3 N 0.1494 -0.6901 0.3850 N.ar 1 UNL1111111111 -0.4177 4 N 2.2476 0.4375 -1.3081 N.ar 1 UNL1111111111 -0.3217 5 N 3.3057 -1.3249 -2.1854 N.ar 1 UNL1111111111 -0.1789 6 N -5.1559 -0.6299 -0.1443 N.3 1 UNL1111111111 -0.3835 7 N 4.2170 -0.3677 -1.9670 N.ar 1 UNL1111111111 -0.2136 8 C 0.2389 0.7107 0.0663 C.ar 1 UNL1111111111 0.1230 9 C 1.2408 1.2642 -0.7666 C.ar 1 UNL1111111111 0.1006 10 C -0.0315 -1.5095 -0.7806 C.ar 1 UNL1111111111 0.0940 11 C 2.0914 -0.8872 -1.7883 C.ar 1 UNL1111111111 0.1431 12 C 0.8413 -1.6048 -1.7961 C.ar 1 UNL1111111111 -0.1931 13 C 1.1193 -1.1308 1.3495 C.ar 1 UNL1111111111 0.1905 14 C 3.6231 0.7216 -1.4315 C.ar 1 UNL1111111111 0.1978 15 C -0.7097 1.5503 0.6544 C.ar 1 UNL1111111111 -0.1549 16 C 1.2440 2.6368 -1.0413 C.ar 1 UNL1111111111 -0.1575 17 C -2.7810 -1.1038 -0.4307 C.3 1 UNL1111111111 -0.3188 18 C -4.1835 -1.7216 -0.4213 C.3 1 UNL1111111111 -0.1141 19 C -0.6233 2.9155 0.4260 C.ar 1 UNL1111111111 0.0261 20 C 0.3221 3.4757 -0.4252 C.ar 1 UNL1111111111 -0.1444 21 C 1.3863 -0.2927 2.4448 C.ar 1 UNL1111111111 -0.2330 22 C 1.7383 -2.3821 1.2586 C.ar 1 UNL1111111111 -0.2246 23 C 4.2902 1.9613 -1.0081 C.3 1 UNL1111111111 -0.4305 24 C 2.2564 -0.7185 3.4393 C.ar 1 UNL1111111111 -0.0949 25 C 2.6145 -2.7901 2.2623 C.ar 1 UNL1111111111 -0.0911 26 C -6.4131 -1.1897 0.3973 C.3 1 UNL1111111111 -0.2868 27 C -5.4300 0.1647 -1.3613 C.3 1 UNL1111111111 -0.2849 28 C 2.8731 -1.9671 3.3538 C.ar 1 UNL1111111111 -0.1893 29 H 0.6765 -2.2427 -2.6731 H 1 UNL1111111111 0.2114 30 H -1.4872 1.1206 1.2986 H 1 UNL1111111111 0.2047 31 H 1.9740 3.0489 -1.7381 H 1 UNL1111111111 0.1788 32 H -2.5678 -0.6271 0.5473 H 1 UNL1111111111 0.1822 33 H -2.7028 -0.3100 -1.1910 H 1 UNL1111111111 0.1601 34 H -4.4027 -2.2532 -1.3728 H 1 UNL1111111111 0.1231 35 H -4.2594 -2.4772 0.3948 H 1 UNL1111111111 0.1467 36 H 0.3475 4.5512 -0.6123 H 1 UNL1111111111 0.1800 37 H 0.9097 0.6810 2.5259 H 1 UNL1111111111 0.1632 38 H 1.5499 -3.0437 0.4152 H 1 UNL1111111111 0.1727 39 H 5.3642 1.7690 -0.8103 H 1 UNL1111111111 0.1956 40 H 4.2554 2.7405 -1.7883 H 1 UNL1111111111 0.1750 41 H 3.8653 2.3798 -0.0815 H 1 UNL1111111111 0.1732 42 H 2.4545 -0.0698 4.2922 H 1 UNL1111111111 0.1504 43 H 3.1031 -3.7619 2.1824 H 1 UNL1111111111 0.1546 44 H -7.1103 -0.3638 0.6161 H 1 UNL1111111111 0.1476 45 H -6.9202 -1.9036 -0.2675 H 1 UNL1111111111 0.1190 46 H -6.1983 -1.6897 1.3567 H 1 UNL1111111111 0.1477 47 H -4.5247 0.7367 -1.6202 H 1 UNL1111111111 0.1487 48 H -5.7284 -0.4308 -2.2363 H 1 UNL1111111111 0.1193 49 H -6.2225 0.9010 -1.1521 H 1 UNL1111111111 0.1450 50 H 3.5473 -2.2981 4.1374 H 1 UNL1111111111 0.1534 @BOND 1 1 19 1 2 2 10 1 3 2 17 1 4 3 8 ar 5 3 10 ar 6 3 13 1 7 4 9 ar 8 4 11 ar 9 4 14 ar 10 5 7 ar 11 5 11 ar 12 6 18 1 13 6 26 1 14 6 27 1 15 7 14 ar 16 8 9 ar 17 8 15 ar 18 9 16 ar 19 10 12 ar 20 11 12 ar 21 12 29 1 22 13 21 ar 23 13 22 ar 24 14 23 1 25 15 19 ar 26 15 30 1 27 16 20 ar 28 16 31 1 29 17 18 1 30 17 32 1 31 17 33 1 32 18 34 1 33 18 35 1 34 19 20 ar 35 20 36 1 36 21 24 ar 37 21 37 1 38 22 25 ar 39 22 38 1 40 23 39 1 41 23 40 1 42 23 41 1 43 24 28 ar 44 24 42 1 45 25 28 ar 46 25 43 1 47 26 44 1 48 26 45 1 49 26 46 1 50 27 47 1 51 27 48 1 52 27 49 1 53 28 50 1