@MOLECULE chloro-3,4,5,6-tetrahydro-6-((1-isopropyl-2-imidazolin-2-yl)methyl)-2h-1,6-benzothiazocine 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.3514 1.8956 0.6188 Cl 1 UNL1111111111 -0.0883 2 S 0.0984 -1.8214 -1.6920 S.3 1 UNL1111111111 0.0104 3 N 2.8081 1.5517 0.2947 N.pl3 1 UNL1111111111 -0.4920 4 N 0.1541 -0.5549 1.0825 N.pl3 1 UNL1111111111 -0.4297 5 N 0.6830 2.1260 -0.3639 N.2 1 UNL1111111111 -0.4627 6 C 1.3988 1.4316 0.4706 C.2 1 UNL1111111111 0.3366 7 C 0.8076 0.6648 1.6248 C.3 1 UNL1111111111 -0.1213 8 C 3.7068 0.4299 0.6121 C.3 1 UNL1111111111 0.1346 9 C 3.0024 2.2564 -1.0072 C.3 1 UNL1111111111 -0.1259 10 C -0.1231 -1.5425 2.1566 C.3 1 UNL1111111111 -0.0959 11 C 1.5580 2.7140 -1.3907 C.3 1 UNL1111111111 -0.1242 12 C -0.6669 -2.8531 1.5592 C.3 1 UNL1111111111 -0.2800 13 C -1.0279 -0.2457 0.3171 C.ar 1 UNL1111111111 0.2185 14 C 0.3228 -3.5026 0.5787 C.3 1 UNL1111111111 -0.2548 15 C 5.1667 0.8959 0.4818 C.3 1 UNL1111111111 -0.4677 16 C 3.4576 -0.8144 -0.2486 C.3 1 UNL1111111111 -0.5103 17 C -0.1486 -3.4474 -0.8694 C.3 1 UNL1111111111 -0.3019 18 C -1.1465 -0.7829 -0.9716 C.ar 1 UNL1111111111 -0.1377 19 C -2.0444 0.5806 0.8224 C.ar 1 UNL1111111111 -0.2500 20 C -2.2450 -0.4586 -1.7684 C.ar 1 UNL1111111111 -0.0804 21 C -3.1202 0.8774 0.0033 C.ar 1 UNL1111111111 0.0814 22 C -3.2456 0.3836 -1.2879 C.ar 1 UNL1111111111 -0.2086 23 H 0.1125 1.3328 2.1886 H 1 UNL1111111111 0.1558 24 H 1.6053 0.3563 2.3397 H 1 UNL1111111111 0.1606 25 H 3.5142 0.1695 1.6903 H 1 UNL1111111111 0.1294 26 H 3.4457 1.6056 -1.7795 H 1 UNL1111111111 0.1331 27 H 3.6780 3.1142 -0.8363 H 1 UNL1111111111 0.1442 28 H -0.8375 -1.1514 2.9145 H 1 UNL1111111111 0.1206 29 H 0.8385 -1.7463 2.6810 H 1 UNL1111111111 0.1435 30 H 1.4498 3.8152 -1.3768 H 1 UNL1111111111 0.1542 31 H 1.2452 2.3519 -2.3884 H 1 UNL1111111111 0.1517 32 H -1.6425 -2.6704 1.0693 H 1 UNL1111111111 0.1502 33 H -0.8879 -3.5518 2.3886 H 1 UNL1111111111 0.1368 34 H 1.3234 -3.0313 0.6804 H 1 UNL1111111111 0.1620 35 H 0.4781 -4.5637 0.8648 H 1 UNL1111111111 0.1310 36 H 5.3227 1.8479 1.0043 H 1 UNL1111111111 0.1573 37 H 5.4607 1.0388 -0.5624 H 1 UNL1111111111 0.1477 38 H 5.8462 0.1575 0.9186 H 1 UNL1111111111 0.1475 39 H 3.5704 -0.6099 -1.3174 H 1 UNL1111111111 0.1552 40 H 4.1390 -1.6276 0.0122 H 1 UNL1111111111 0.1477 41 H 2.4275 -1.1803 -0.1057 H 1 UNL1111111111 0.1869 42 H 0.4286 -4.1615 -1.4896 H 1 UNL1111111111 0.1575 43 H -1.2086 -3.7448 -0.9520 H 1 UNL1111111111 0.1525 44 H -1.9711 0.9970 1.8254 H 1 UNL1111111111 0.1787 45 H -2.3317 -0.8580 -2.7829 H 1 UNL1111111111 0.1706 46 H -4.0952 0.6458 -1.9158 H 1 UNL1111111111 0.1754 @BOND 1 1 21 1 2 2 17 1 3 2 18 1 4 3 6 1 5 3 8 1 6 3 9 1 7 4 7 1 8 4 10 1 9 4 13 1 10 5 6 2 11 5 11 1 12 6 7 1 13 7 23 1 14 7 24 1 15 8 15 1 16 8 16 1 17 8 25 1 18 9 11 1 19 9 26 1 20 9 27 1 21 10 12 1 22 10 28 1 23 10 29 1 24 11 30 1 25 11 31 1 26 12 14 1 27 12 32 1 28 12 33 1 29 13 18 ar 30 13 19 ar 31 14 17 1 32 14 34 1 33 14 35 1 34 15 36 1 35 15 37 1 36 15 38 1 37 16 39 1 38 16 40 1 39 16 41 1 40 17 42 1 41 17 43 1 42 18 20 ar 43 19 21 ar 44 19 44 1 45 20 22 ar 46 20 45 1 47 21 22 ar 48 22 46 1