@MOLECULE trifenmorph 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2740 -2.6497 -0.0103 O.3 1 UNL1111111111 -0.3924 2 N -0.8924 -1.1333 -0.0047 N.3 1 UNL1111111111 -0.4361 3 C 0.0519 0.0264 -0.0000 C.3 1 UNL1111111111 0.1634 4 C -1.7623 -1.1835 1.1982 C.3 1 UNL1111111111 -0.1590 5 C -1.7629 -1.1735 -1.2075 C.3 1 UNL1111111111 -0.1589 6 C 1.0170 -0.0894 1.1820 C.ar 1 UNL1111111111 -0.0234 7 C 1.0166 -0.0793 -1.1833 C.ar 1 UNL1111111111 -0.0234 8 C -0.7516 1.3218 0.0053 C.ar 1 UNL1111111111 -0.0576 9 C -2.4933 -2.5393 1.1655 C.3 1 UNL1111111111 -0.0353 10 C -2.4938 -2.5296 -1.1855 C.3 1 UNL1111111111 -0.0353 11 C 1.6583 1.0490 1.6755 C.ar 1 UNL1111111111 -0.1662 12 C 1.3483 -1.3282 -1.7135 C.ar 1 UNL1111111111 -0.1426 13 C -1.1660 1.8898 1.2123 C.ar 1 UNL1111111111 -0.1593 14 C 1.3486 -1.3426 1.7017 C.ar 1 UNL1111111111 -0.1426 15 C 1.6576 1.0636 -1.6667 C.ar 1 UNL1111111111 -0.1663 16 C -1.1676 1.8990 -1.1969 C.ar 1 UNL1111111111 -0.1593 17 C 2.5861 0.9392 2.7080 C.ar 1 UNL1111111111 -0.1396 18 C 2.2743 -1.4269 -2.7487 C.ar 1 UNL1111111111 -0.1478 19 C -1.9682 3.0283 1.2176 C.ar 1 UNL1111111111 -0.1415 20 C 2.2760 -1.4511 2.7347 C.ar 1 UNL1111111111 -0.1477 21 C 2.5868 0.9627 -2.6990 C.ar 1 UNL1111111111 -0.1395 22 C -1.9695 3.0376 -1.1921 C.ar 1 UNL1111111111 -0.1415 23 C 2.8921 -0.3099 3.2443 C.ar 1 UNL1111111111 -0.1531 24 C 2.8917 -0.2815 -3.2470 C.ar 1 UNL1111111111 -0.1531 25 C -2.3700 3.6059 0.0152 C.ar 1 UNL1111111111 -0.1472 26 H -2.5033 -0.3553 1.2271 H 1 UNL1111111111 0.1375 27 H -1.1447 -1.1027 2.1160 H 1 UNL1111111111 0.1498 28 H -1.1458 -1.0852 -2.1249 H 1 UNL1111111111 0.1498 29 H -2.5043 -0.3453 -1.2291 H 1 UNL1111111111 0.1375 30 H -1.7844 -3.3838 1.2193 H 1 UNL1111111111 0.1270 31 H -3.2442 -2.6212 1.9697 H 1 UNL1111111111 0.1340 32 H -3.2450 -2.6051 -1.9900 H 1 UNL1111111111 0.1340 33 H -1.7848 -3.3735 -1.2465 H 1 UNL1111111111 0.1271 34 H 1.4457 2.0284 1.2474 H 1 UNL1111111111 0.1591 35 H 0.8876 -2.2305 -1.3056 H 1 UNL1111111111 0.1729 36 H -0.8640 1.4433 2.1605 H 1 UNL1111111111 0.1608 37 H 0.8875 -2.2413 1.2860 H 1 UNL1111111111 0.1730 38 H 1.4439 2.0391 -1.2306 H 1 UNL1111111111 0.1592 39 H -0.8669 1.4600 -2.1488 H 1 UNL1111111111 0.1608 40 H 3.0767 1.8318 3.0901 H 1 UNL1111111111 0.1481 41 H 2.5209 -2.4024 -3.1613 H 1 UNL1111111111 0.1461 42 H -2.2821 3.4643 2.1640 H 1 UNL1111111111 0.1500 43 H 2.5242 -2.4304 3.1371 H 1 UNL1111111111 0.1461 44 H 3.0787 1.8584 -3.0721 H 1 UNL1111111111 0.1481 45 H -2.2844 3.4814 -2.1345 H 1 UNL1111111111 0.1499 46 H 3.6155 -0.3941 4.0509 H 1 UNL1111111111 0.1438 47 H 3.6153 -0.3592 -4.0542 H 1 UNL1111111111 0.1438 48 H -2.9963 4.4947 0.0189 H 1 UNL1111111111 0.1469 @BOND 1 1 9 1 2 1 10 1 3 2 3 1 4 2 4 1 5 2 5 1 6 3 6 1 7 3 7 1 8 3 8 1 9 4 9 1 10 4 26 1 11 4 27 1 12 5 10 1 13 5 28 1 14 5 29 1 15 6 11 ar 16 6 14 ar 17 7 12 ar 18 7 15 ar 19 8 13 ar 20 8 16 ar 21 9 30 1 22 9 31 1 23 10 32 1 24 10 33 1 25 11 17 ar 26 11 34 1 27 12 18 ar 28 12 35 1 29 13 19 ar 30 13 36 1 31 14 20 ar 32 14 37 1 33 15 21 ar 34 15 38 1 35 16 22 ar 36 16 39 1 37 17 23 ar 38 17 40 1 39 18 24 ar 40 18 41 1 41 19 25 ar 42 19 42 1 43 20 23 ar 44 20 43 1 45 21 24 ar 46 21 44 1 47 22 25 ar 48 22 45 1 49 23 46 1 50 24 47 1 51 25 48 1