@MOLECULE clordantoin 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.6624 0.4251 -0.5265 Cl 1 UNL1111111111 -0.0454 2 CL -2.7881 0.8277 1.5983 Cl 1 UNL1111111111 -0.0563 3 CL -2.1465 1.7008 -1.0202 Cl 1 UNL1111111111 -0.0752 4 S -2.2514 -1.2428 -0.4933 S.3 1 UNL1111111111 0.4658 5 O 0.2559 -0.1597 -2.0343 O.2 1 UNL1111111111 -0.3881 6 O -0.7501 -1.5451 2.2392 O.2 1 UNL1111111111 -0.4363 7 N 1.0847 -0.3948 1.3891 N.am 1 UNL1111111111 -0.6041 8 N -0.6083 -0.9462 -0.0294 N.am 1 UNL1111111111 -0.6871 9 C 2.8351 -0.7698 -0.4192 C.3 1 UNL1111111111 -0.1333 10 C 1.5744 -0.0167 0.0509 C.3 1 UNL1111111111 -0.0165 11 C 4.0750 -0.2404 0.3196 C.3 1 UNL1111111111 -0.2830 12 C 2.6916 -2.2903 -0.2253 C.3 1 UNL1111111111 -0.2677 13 C 4.4876 1.1503 -0.1781 C.3 1 UNL1111111111 -0.2709 14 C 0.3745 -0.3434 -0.8614 C.2 1 UNL1111111111 0.5514 15 C 5.7569 1.6250 0.5422 C.3 1 UNL1111111111 -0.2508 16 C 3.6499 -3.0600 -1.1326 C.3 1 UNL1111111111 -0.4344 17 C -0.1528 -1.0299 1.3354 C.2 1 UNL1111111111 0.6984 18 C 6.1654 3.0166 0.0603 C.3 1 UNL1111111111 -0.4400 19 C -2.9588 0.4258 -0.1074 C.3 1 UNL1111111111 -0.0159 20 H 2.9531 -0.5630 -1.5163 H 1 UNL1111111111 0.1680 21 H 1.7578 1.0937 0.0346 H 1 UNL1111111111 0.1870 22 H 4.9180 -0.9460 0.1719 H 1 UNL1111111111 0.1511 23 H 3.9016 -0.2205 1.4105 H 1 UNL1111111111 0.1367 24 H 2.8682 -2.5634 0.8321 H 1 UNL1111111111 0.1424 25 H 1.6530 -2.6100 -0.4438 H 1 UNL1111111111 0.1446 26 H 3.6738 1.8819 -0.0166 H 1 UNL1111111111 0.1383 27 H 4.6621 1.1285 -1.2707 H 1 UNL1111111111 0.1421 28 H 1.7135 -0.4935 2.1633 H 1 UNL1111111111 0.3397 29 H 5.5913 1.6383 1.6362 H 1 UNL1111111111 0.1346 30 H 6.5826 0.9089 0.3699 H 1 UNL1111111111 0.1338 31 H 3.4444 -2.8659 -2.1924 H 1 UNL1111111111 0.1487 32 H 3.5564 -4.1417 -0.9768 H 1 UNL1111111111 0.1473 33 H 4.6958 -2.7926 -0.9454 H 1 UNL1111111111 0.1446 34 H 6.3681 3.0261 -1.0166 H 1 UNL1111111111 0.1441 35 H 5.3805 3.7564 0.2549 H 1 UNL1111111111 0.1447 36 H 7.0735 3.3620 0.5673 H 1 UNL1111111111 0.1419 @BOND 1 1 19 1 2 2 19 1 3 3 19 1 4 4 8 1 5 4 19 1 6 5 14 2 7 6 17 2 8 7 10 1 9 7 17 am 10 7 28 1 11 8 14 am 12 8 17 am 13 9 10 1 14 9 11 1 15 9 12 1 16 9 20 1 17 10 14 1 18 10 21 1 19 11 13 1 20 11 22 1 21 11 23 1 22 12 16 1 23 12 24 1 24 12 25 1 25 13 15 1 26 13 26 1 27 13 27 1 28 15 18 1 29 15 29 1 30 15 30 1 31 16 31 1 32 16 32 1 33 16 33 1 34 18 34 1 35 18 35 1 36 18 36 1