@MOLECULE auramine 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.8048 1.2364 -0.2267 N.pl3 1 UNL1111111111 -0.3872 2 N 4.7586 1.2271 -0.0313 N.pl3 1 UNL1111111111 -0.3831 3 N -0.0844 -3.1317 0.0761 N.2 1 UNL1111111111 -0.5450 4 C -1.2728 -1.0542 0.0354 C.ar 1 UNL1111111111 -0.1486 5 C 1.2394 -1.0769 0.0391 C.ar 1 UNL1111111111 -0.1948 6 C -0.0310 -1.8471 0.0583 C.2 1 UNL1111111111 0.2717 7 C -3.6497 0.4602 -0.0464 C.ar 1 UNL1111111111 0.2541 8 C 3.6366 0.3828 -0.0227 C.ar 1 UNL1111111111 0.2396 9 C -1.2510 0.3182 0.3023 C.ar 1 UNL1111111111 -0.0491 10 C 1.9587 -0.8664 1.2134 C.ar 1 UNL1111111111 -0.0663 11 C -2.4967 -1.6657 -0.2584 C.ar 1 UNL1111111111 -0.0190 12 C 1.7157 -0.5642 -1.1666 C.ar 1 UNL1111111111 -0.0589 13 C -2.4162 1.0691 0.2698 C.ar 1 UNL1111111111 -0.3030 14 C 3.1470 -0.1486 1.1897 C.ar 1 UNL1111111111 -0.2851 15 C -3.6704 -0.9282 -0.2978 C.ar 1 UNL1111111111 -0.3098 16 C 2.9032 0.1516 -1.2065 C.ar 1 UNL1111111111 -0.2836 17 C -4.8301 2.5609 0.4158 C.3 1 UNL1111111111 -0.2552 18 C -6.0993 0.5403 -0.1384 C.3 1 UNL1111111111 -0.2550 19 C 5.4443 1.4109 -1.3216 C.3 1 UNL1111111111 -0.2564 20 C 5.6997 1.0949 1.0938 C.3 1 UNL1111111111 -0.2565 21 H -0.3056 0.8119 0.5426 H 1 UNL1111111111 0.1611 22 H 1.5854 -1.2646 2.1581 H 1 UNL1111111111 0.1557 23 H -2.5199 -2.7434 -0.4542 H 1 UNL1111111111 0.1746 24 H 1.1474 -0.7254 -2.0854 H 1 UNL1111111111 0.1584 25 H -2.3602 2.1316 0.4807 H 1 UNL1111111111 0.1583 26 H 3.6853 0.0053 2.1193 H 1 UNL1111111111 0.1593 27 H -4.5994 -1.4356 -0.5330 H 1 UNL1111111111 0.1568 28 H 3.2503 0.5398 -2.1588 H 1 UNL1111111111 0.1602 29 H -4.0474 3.1991 -0.0348 H 1 UNL1111111111 0.1552 30 H -5.7929 3.0612 0.2204 H 1 UNL1111111111 0.1461 31 H -4.6733 2.5201 1.5059 H 1 UNL1111111111 0.1339 32 H -6.1816 -0.1810 -0.9725 H 1 UNL1111111111 0.1551 33 H -6.2412 0.0029 0.8134 H 1 UNL1111111111 0.1343 34 H -6.9280 1.2569 -0.2608 H 1 UNL1111111111 0.1458 35 H 4.7671 1.9346 -2.0217 H 1 UNL1111111111 0.1552 36 H 5.7714 0.4643 -1.7815 H 1 UNL1111111111 0.1347 37 H 6.3266 2.0601 -1.1955 H 1 UNL1111111111 0.1475 38 H 6.5576 1.7736 0.9556 H 1 UNL1111111111 0.1476 39 H 6.0839 0.0703 1.2242 H 1 UNL1111111111 0.1347 40 H 5.1971 1.4104 2.0267 H 1 UNL1111111111 0.1545 41 H 0.7654 -3.6706 0.0827 H 1 UNL1111111111 0.2626 @BOND 1 1 7 1 2 1 17 1 3 1 18 1 4 2 8 1 5 2 19 1 6 2 20 1 7 3 6 2 8 3 41 1 9 4 6 1 10 4 9 ar 11 4 11 ar 12 5 6 1 13 5 10 ar 14 5 12 ar 15 7 13 ar 16 7 15 ar 17 8 14 ar 18 8 16 ar 19 9 13 ar 20 9 21 1 21 10 14 ar 22 10 22 1 23 11 15 ar 24 11 23 1 25 12 16 ar 26 12 24 1 27 13 25 1 28 14 26 1 29 15 27 1 30 16 28 1 31 17 29 1 32 17 30 1 33 17 31 1 34 18 32 1 35 18 33 1 36 18 34 1 37 19 35 1 38 19 36 1 39 19 37 1 40 20 38 1 41 20 39 1 42 20 40 1