@MOLECULE 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.3359 -1.9328 -0.4609 N.ar 1 UNL11 -0.5161 2 N 0.3335 0.0631 0.2174 N.ar 1 UNL11 -0.5733 3 N -4.0854 1.8589 -0.2753 N.3 1 UNL11 -0.5290 4 N -1.9554 -0.3114 0.7376 N.pl3 1 UNL11 -0.3803 5 C 5.2253 1.3529 -0.3684 C.ar 1 UNL11 -0.1169 6 C 5.1676 -0.0311 -0.5275 C.ar 1 UNL11 -0.1716 7 C 4.0581 2.0817 -0.1434 C.ar 1 UNL11 -0.1738 8 C 3.9428 -0.6895 -0.4628 C.ar 1 UNL11 -0.0978 9 C 2.8297 1.4298 -0.0761 C.ar 1 UNL11 -0.0895 10 C -4.7061 0.6343 -0.8062 C.3 1 UNL11 -0.1026 11 C -3.5007 1.6944 1.0660 C.3 1 UNL11 -0.1271 12 C -2.0680 1.1254 1.0846 C.3 1 UNL11 -0.1243 13 S -0.3241 -2.4045 -0.2570 S.2 1 UNL11 0.2714 14 C 2.7707 0.0416 -0.2369 C.ar 1 UNL11 -0.0454 15 C 1.4814 -0.6540 -0.1691 C.ar 1 UNL11 0.3444 16 C -3.7463 -0.5539 -1.0026 C.3 1 UNL11 -0.3542 17 C -0.7494 -0.7133 0.2470 C.ar 1 UNL11 0.2535 18 C -3.1700 -1.0348 0.3395 C.3 1 UNL11 -0.0729 19 H -3.3965 2.2327 -0.9276 H 1 UNL11 0.2624 20 H -5.5421 0.3452 -0.1309 H 1 UNL11 0.1410 21 H -5.1799 0.9013 -1.7793 H 1 UNL11 0.1432 22 H -3.4745 2.7139 1.5257 H 1 UNL11 0.1553 23 H -4.1815 1.0978 1.7082 H 1 UNL11 0.1478 24 H -1.6275 1.2363 2.1063 H 1 UNL11 0.1637 25 H -1.4189 1.7367 0.4076 H 1 UNL11 0.1692 26 H -2.9690 -2.1292 0.3070 H 1 UNL11 0.1495 27 H -3.9219 -0.9123 1.1566 H 1 UNL11 0.1582 28 H 6.1839 1.8655 -0.4192 H 1 UNL11 0.1448 29 H 4.1043 3.1612 -0.0186 H 1 UNL11 0.1510 30 H 6.0790 -0.5990 -0.7029 H 1 UNL11 0.1529 31 H 1.9118 1.9948 0.1041 H 1 UNL11 0.1748 32 H 3.8894 -1.7739 -0.5900 H 1 UNL11 0.1754 33 H -4.2836 -1.3840 -1.4991 H 1 UNL11 0.1555 34 H -2.9310 -0.2759 -1.6975 H 1 UNL11 0.1608 @BOND 1 1 13 ar 2 1 15 ar 3 2 15 ar 4 2 17 ar 5 3 10 1 6 3 11 1 7 3 19 1 8 4 12 1 9 4 17 1 10 4 18 1 11 5 7 ar 12 5 6 ar 13 5 28 1 14 6 8 ar 15 6 30 1 16 7 9 ar 17 7 29 1 18 8 14 ar 19 8 32 1 20 9 14 ar 21 9 31 1 22 10 16 1 23 10 20 1 24 10 21 1 25 11 12 1 26 11 22 1 27 11 23 1 28 12 24 1 29 12 25 1 30 13 17 ar 31 14 15 1 32 16 18 1 33 16 33 1 34 16 34 1 35 18 26 1 36 18 27 1