@MOLECULE 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene 42 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.7959 -1.1291 0.0213 C.ar 1 UNL111 -0.0355 2 C 0.6050 -1.2424 -0.0085 C.ar 1 UNL111 -0.0358 3 C -1.4062 0.1195 -0.1328 C.ar 1 UNL111 -0.0273 4 C 1.4021 -0.0997 -0.1285 C.ar 1 UNL111 -0.0272 5 C -0.6060 1.2591 -0.2599 C.ar 1 UNL111 -0.0408 6 C 0.7885 1.1498 -0.2650 C.ar 1 UNL111 -0.0395 7 C -1.6116 -2.3777 0.2076 C.3 1 UNL111 -0.2647 8 C 1.2176 -2.6100 0.1071 C.3 1 UNL111 -0.2646 9 C -2.8997 0.2729 -0.1511 C.3 1 UNL111 -0.2641 10 C 2.9014 -0.1786 -0.1340 C.3 1 UNL111 -0.2646 11 C -1.1642 2.6457 -0.3839 C.3 1 UNL111 -0.2641 12 C 1.5524 2.4273 -0.4460 C.3 1 UNL111 -0.2644 13 C -3.0751 -2.1045 0.5713 C.3 1 UNL111 -0.2581 14 C 2.6959 -2.6550 -0.2949 C.3 1 UNL111 -0.2581 15 C -3.6404 -1.0489 -0.3773 C.3 1 UNL111 -0.2585 16 C 3.4389 -1.5122 0.3946 C.3 1 UNL111 -0.2584 17 C -0.4702 3.5799 0.6230 C.3 1 UNL111 -0.2546 18 C 1.0640 3.4969 0.5464 C.3 1 UNL111 -0.2551 19 H -1.5691 -2.9750 -0.7290 H 1 UNL111 0.1467 20 H -1.1632 -3.0122 1.0006 H 1 UNL111 0.1426 21 H 1.1089 -2.9618 1.1561 H 1 UNL111 0.1472 22 H 0.6590 -3.3345 -0.5219 H 1 UNL111 0.1422 23 H -3.2241 0.7210 0.8129 H 1 UNL111 0.1479 24 H -3.1992 0.9905 -0.9434 H 1 UNL111 0.1427 25 H 3.2631 -0.0154 -1.1720 H 1 UNL111 0.1474 26 H 3.3290 0.6456 0.4756 H 1 UNL111 0.1436 27 H -1.0053 3.0156 -1.4187 H 1 UNL111 0.1486 28 H -2.2562 2.6830 -0.2184 H 1 UNL111 0.1381 29 H 1.4099 2.7863 -1.4881 H 1 UNL111 0.1487 30 H 2.6436 2.2942 -0.3307 H 1 UNL111 0.1379 31 H -3.6626 -3.0379 0.5175 H 1 UNL111 0.1277 32 H -3.1478 -1.7543 1.6186 H 1 UNL111 0.1406 33 H 3.1354 -3.6311 -0.0242 H 1 UNL111 0.1277 34 H 2.7943 -2.5664 -1.3935 H 1 UNL111 0.1402 35 H -4.7242 -0.9134 -0.2163 H 1 UNL111 0.1277 36 H -3.5226 -1.3764 -1.4277 H 1 UNL111 0.1405 37 H 4.5262 -1.5844 0.2176 H 1 UNL111 0.1277 38 H 3.2990 -1.5711 1.4908 H 1 UNL111 0.1408 39 H -0.8050 4.6184 0.4542 H 1 UNL111 0.1273 40 H -0.8025 3.3128 1.6447 H 1 UNL111 0.1380 41 H 1.4851 4.4778 0.2630 H 1 UNL111 0.1272 42 H 1.4703 3.2687 1.5503 H 1 UNL111 0.1364 @BOND 1 29 12 1 2 36 15 1 3 27 11 1 4 34 14 1 5 25 10 1 6 24 9 1 7 19 7 1 8 22 8 1 9 12 30 1 10 12 6 1 11 12 18 1 12 11 5 1 13 11 28 1 14 11 17 1 15 15 35 1 16 15 9 1 17 15 13 1 18 14 33 1 19 14 8 1 20 14 16 1 21 6 5 ar 22 6 4 ar 23 5 3 ar 24 9 3 1 25 9 23 1 26 10 4 1 27 10 16 1 28 10 26 1 29 3 1 ar 30 4 2 ar 31 2 1 ar 32 2 8 1 33 1 7 1 34 8 21 1 35 7 13 1 36 7 20 1 37 37 16 1 38 41 18 1 39 16 38 1 40 39 17 1 41 31 13 1 42 18 17 1 43 18 42 1 44 13 32 1 45 17 40 1