@MOLECULE zolertine 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 N -0.6541 -0.2227 0.1331 N.3 1 UNL1111111111 -0.4185 2 N 2.1861 -0.1048 -0.2301 N.pl3 1 UNL1111111111 -0.4331 3 N -4.9835 0.6197 -0.9237 N.ar 1 UNL1111111111 -0.2675 4 N -5.3171 -0.3357 1.0798 N.ar 1 UNL1111111111 -0.2368 5 N -6.2630 0.2113 -0.7596 N.ar 1 UNL1111111111 -0.1337 6 N -6.4461 -0.3605 0.4561 N.ar 1 UNL1111111111 -0.0207 7 C -0.0250 0.8782 -0.6371 C.3 1 UNL1111111111 -0.1149 8 C 0.1447 -1.4624 -0.0257 C.3 1 UNL1111111111 -0.1164 9 C 1.3947 1.1347 -0.0739 C.3 1 UNL1111111111 -0.1083 10 C 1.5636 -1.2101 0.5371 C.3 1 UNL1111111111 -0.0995 11 C -2.0573 -0.4367 -0.2884 C.3 1 UNL1111111111 -0.1089 12 C 3.5897 0.0125 -0.0495 C.ar 1 UNL1111111111 0.2005 13 C -2.9466 0.4833 0.5815 C.3 1 UNL1111111111 -0.2644 14 C 4.2089 1.1835 0.4124 C.ar 1 UNL1111111111 -0.2657 15 C 4.3874 -1.0771 -0.4514 C.ar 1 UNL1111111111 -0.2312 16 C -4.3640 0.2783 0.2371 C.ar 1 UNL1111111111 0.1550 17 C 5.5987 1.2615 0.4609 C.ar 1 UNL1111111111 -0.0907 18 C 5.7709 -0.9848 -0.3909 C.ar 1 UNL1111111111 -0.0962 19 C 6.3839 0.1833 0.0648 C.ar 1 UNL1111111111 -0.2091 20 H -0.6378 1.7960 -0.5152 H 1 UNL1111111111 0.1387 21 H 0.0406 0.6590 -1.7252 H 1 UNL1111111111 0.1314 22 H 0.2149 -1.7973 -1.0829 H 1 UNL1111111111 0.1296 23 H -0.3383 -2.2741 0.5594 H 1 UNL1111111111 0.1412 24 H 1.8748 1.9488 -0.6588 H 1 UNL1111111111 0.1430 25 H 1.3238 1.4634 0.9859 H 1 UNL1111111111 0.1353 26 H 1.5000 -0.9706 1.6224 H 1 UNL1111111111 0.1380 27 H 2.1736 -2.1311 0.4347 H 1 UNL1111111111 0.1412 28 H -2.2307 -0.2318 -1.3667 H 1 UNL1111111111 0.1330 29 H -2.3536 -1.4947 -0.1148 H 1 UNL1111111111 0.1448 30 H -2.6535 1.5474 0.4445 H 1 UNL1111111111 0.1756 31 H -2.7599 0.2649 1.6603 H 1 UNL1111111111 0.1948 32 H 3.6199 2.0324 0.7444 H 1 UNL1111111111 0.1555 33 H 3.9166 -1.9794 -0.8338 H 1 UNL1111111111 0.1608 34 H 6.0720 2.1758 0.8173 H 1 UNL1111111111 0.1460 35 H 6.3826 -1.8288 -0.7071 H 1 UNL1111111111 0.1467 36 H 7.4670 0.2490 0.1081 H 1 UNL1111111111 0.1510 37 H -6.9664 0.3385 -1.4667 H 1 UNL1111111111 0.3536 @BOND 1 1 7 1 2 1 8 1 3 1 11 1 4 2 9 1 5 2 10 1 6 2 12 1 7 3 5 ar 8 3 16 ar 9 4 6 ar 10 4 16 ar 11 5 6 ar 12 5 37 1 13 7 9 1 14 7 20 1 15 7 21 1 16 8 10 1 17 8 22 1 18 8 23 1 19 9 24 1 20 9 25 1 21 10 26 1 22 10 27 1 23 11 13 1 24 11 28 1 25 11 29 1 26 12 14 ar 27 12 15 ar 28 13 16 1 29 13 30 1 30 13 31 1 31 14 17 ar 32 14 32 1 33 15 18 ar 34 15 33 1 35 17 19 ar 36 17 34 1 37 18 19 ar 38 18 35 1 39 19 36 1