@MOLECULE lomant's reagent 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.9689 -3.4369 0.1395 S.3 1 UNL111111111 -0.0044 2 S 3.2142 -2.0106 -0.4782 S.3 1 UNL111111111 0.0125 3 O -2.2710 -0.7229 -0.9059 O.3 1 UNL111111111 -0.0893 4 O 2.2471 0.9351 0.6681 O.3 1 UNL111111111 -0.0804 5 O -4.6060 -2.1966 -0.4360 O.2 1 UNL111111111 -0.4000 6 O -2.6332 1.8956 0.1003 O.2 1 UNL111111111 -0.4571 7 O 1.0332 0.5978 -1.8440 O.2 1 UNL111111111 -0.4436 8 O 1.4734 3.4586 1.6915 O.2 1 UNL111111111 -0.4218 9 O -1.9895 -1.3235 1.2646 O.2 1 UNL111111111 -0.4663 10 O 3.6544 1.9946 -0.7696 O.2 1 UNL111111111 -0.4544 11 N -3.4752 -0.1732 -0.5320 N.am 1 UNL111111111 -0.4166 12 N 1.2279 1.7158 0.1757 N.am 1 UNL111111111 -0.4369 13 C -5.5560 -0.1751 0.5868 C.3 1 UNL111111111 -0.3530 14 C -4.8779 1.1926 0.7868 C.3 1 UNL111111111 -0.3536 15 C -0.1275 2.7249 -1.4644 C.3 1 UNL111111111 -0.3416 16 C -0.0428 3.6467 -0.2342 C.3 1 UNL111111111 -0.3451 17 C -4.5496 -1.0385 -0.1494 C.2 1 UNL111111111 0.5746 18 C -3.5114 1.0790 0.1316 C.2 1 UNL111111111 0.5957 19 C 0.7693 1.5436 -1.1629 C.2 1 UNL111111111 0.5950 20 C 0.9835 3.0229 0.6936 C.2 1 UNL111111111 0.5910 21 C -0.3489 -1.9697 -0.4237 C.3 1 UNL111111111 -0.3555 22 C 4.4843 0.1744 0.6011 C.3 1 UNL111111111 -0.3409 23 C -1.5810 -1.3428 0.1375 C.2 1 UNL111111111 0.5111 24 C 3.4784 1.1410 0.0537 C.2 1 UNL111111111 0.5100 25 C 0.3905 -2.6950 0.6896 C.3 1 UNL111111111 -0.3154 26 C 3.9093 -1.1743 1.0011 C.3 1 UNL111111111 -0.3378 27 H -5.8274 -0.6516 1.5507 H 1 UNL111111111 0.1912 28 H -6.4985 -0.1014 0.0113 H 1 UNL111111111 0.1863 29 H -5.4590 2.0214 0.3367 H 1 UNL111111111 0.1838 30 H -4.7642 1.4481 1.8555 H 1 UNL111111111 0.1903 31 H 0.1929 3.2258 -2.3964 H 1 UNL111111111 0.1831 32 H -1.1676 2.3742 -1.6453 H 1 UNL111111111 0.2032 33 H -1.0211 3.7255 0.2838 H 1 UNL111111111 0.1999 34 H 0.2492 4.6820 -0.5009 H 1 UNL111111111 0.1814 35 H -0.6087 -2.6537 -1.2676 H 1 UNL111111111 0.1975 36 H 0.2916 -1.1801 -0.9016 H 1 UNL111111111 0.2243 37 H 5.3029 0.0589 -0.1534 H 1 UNL111111111 0.1956 38 H 4.9836 0.6475 1.4829 H 1 UNL111111111 0.1901 39 H 0.5535 -2.0193 1.5553 H 1 UNL111111111 0.1762 40 H -0.2112 -3.5418 1.0891 H 1 UNL111111111 0.1794 41 H 4.6982 -1.8160 1.4417 H 1 UNL111111111 0.1685 42 H 3.1398 -1.0573 1.7905 H 1 UNL111111111 0.1728 @BOND 1 1 2 1 2 1 25 1 3 2 26 1 4 3 11 1 5 3 23 1 6 4 12 1 7 4 24 1 8 5 17 2 9 6 18 2 10 7 19 2 11 8 20 2 12 9 23 2 13 10 24 2 14 11 17 am 15 11 18 am 16 12 19 am 17 12 20 am 18 13 14 1 19 13 17 1 20 13 27 1 21 13 28 1 22 14 18 1 23 14 29 1 24 14 30 1 25 15 16 1 26 15 19 1 27 15 31 1 28 15 32 1 29 16 20 1 30 16 33 1 31 16 34 1 32 21 23 1 33 21 25 1 34 21 35 1 35 21 36 1 36 22 24 1 37 22 26 1 38 22 37 1 39 22 38 1 40 25 39 1 41 25 40 1 42 26 41 1 43 26 42 1