@MOLECULE inprochone 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7503 0.3386 -0.0544 O.2 1 UNL111111111 -0.2881 2 O 2.7576 -0.3259 -0.1311 O.2 1 UNL111111111 -0.2916 3 O -1.4723 -2.1794 -0.4792 O.2 1 UNL111111111 -0.3982 4 O 1.4692 2.1794 -0.5381 O.2 1 UNL111111111 -0.3981 5 N -1.1792 2.5353 0.2880 N.pl3 1 UNL111111111 -0.2795 6 N 1.1926 -2.5275 0.2819 N.pl3 1 UNL111111111 -0.2803 7 C -0.9443 3.7098 -0.5786 C.3 1 UNL111111111 -0.1878 8 C -2.3229 3.1047 -0.4605 C.3 1 UNL111111111 -0.1989 9 C 0.9456 -3.7065 -0.5754 C.3 1 UNL111111111 -0.1878 10 C 2.3261 -3.1013 -0.4780 C.3 1 UNL111111111 -0.1979 11 C -0.6589 1.2786 -0.0711 C.2 1 UNL111111111 -0.0820 12 C 0.6660 -1.2732 -0.0751 C.2 1 UNL111111111 -0.0780 13 C -1.4192 0.1498 -0.0950 C.2 1 UNL111111111 0.0753 14 C 1.4245 -0.1442 -0.1275 C.2 1 UNL111111111 0.0740 15 C -0.8085 -1.2023 -0.2292 C.2 1 UNL111111111 0.4236 16 C 0.8106 1.2065 -0.2604 C.2 1 UNL111111111 0.4236 17 C -3.5930 -0.7950 0.2231 C.3 1 UNL111111111 -0.0354 18 C 3.5926 0.7963 0.2132 C.3 1 UNL111111111 -0.0345 19 C -4.9231 -0.1335 0.5907 C.3 1 UNL111111111 -0.2809 20 C 4.9228 0.1242 0.5598 C.3 1 UNL111111111 -0.2812 21 C -5.9556 -1.2047 0.9268 C.3 1 UNL111111111 -0.4336 22 C 5.9247 1.1737 1.0300 C.3 1 UNL111111111 -0.4337 23 H -0.6905 4.6287 -0.0440 H 1 UNL111111111 0.1676 24 H -0.3686 3.6195 -1.4998 H 1 UNL111111111 0.1637 25 H -2.7666 2.5621 -1.2950 H 1 UNL111111111 0.1591 26 H -3.0888 3.5761 0.1586 H 1 UNL111111111 0.1656 27 H 0.6979 -4.6221 -0.0333 H 1 UNL111111111 0.1677 28 H 0.3582 -3.6198 -1.4894 H 1 UNL111111111 0.1633 29 H 2.7598 -2.5631 -1.3207 H 1 UNL111111111 0.1598 30 H 3.0992 -3.5706 0.1337 H 1 UNL111111111 0.1655 31 H -3.1794 -1.3917 1.0523 H 1 UNL111111111 0.1423 32 H -3.6593 -1.4091 -0.6918 H 1 UNL111111111 0.1467 33 H 3.1670 1.3486 1.0666 H 1 UNL111111111 0.1410 34 H 3.6635 1.4557 -0.6695 H 1 UNL111111111 0.1479 35 H -5.2765 0.5028 -0.2435 H 1 UNL111111111 0.1468 36 H -4.7783 0.5548 1.4474 H 1 UNL111111111 0.1542 37 H 4.7639 -0.6445 1.3424 H 1 UNL111111111 0.1547 38 H 5.3135 -0.4241 -0.3191 H 1 UNL111111111 0.1462 39 H -6.1329 -1.8774 0.0794 H 1 UNL111111111 0.1461 40 H -6.9194 -0.7546 1.1927 H 1 UNL111111111 0.1460 41 H -5.6388 -1.8210 1.7769 H 1 UNL111111111 0.1474 42 H 6.0988 1.9401 0.2653 H 1 UNL111111111 0.1462 43 H 6.8947 0.7176 1.2611 H 1 UNL111111111 0.1458 44 H 5.5806 1.6842 1.9377 H 1 UNL111111111 0.1474 @BOND 1 1 13 1 2 1 17 1 3 2 14 1 4 2 18 1 5 3 15 2 6 4 16 2 7 5 7 1 8 5 8 1 9 5 11 1 10 6 9 1 11 6 10 1 12 6 12 1 13 7 8 1 14 7 23 1 15 7 24 1 16 8 25 1 17 8 26 1 18 9 10 1 19 9 27 1 20 9 28 1 21 10 29 1 22 10 30 1 23 11 13 2 24 11 16 1 25 12 14 2 26 12 15 1 27 13 15 1 28 14 16 1 29 17 19 1 30 17 31 1 31 17 32 1 32 18 20 1 33 18 33 1 34 18 34 1 35 19 21 1 36 19 35 1 37 19 36 1 38 20 22 1 39 20 37 1 40 20 38 1 41 21 39 1 42 21 40 1 43 21 41 1 44 22 42 1 45 22 43 1 46 22 44 1