@MOLECULE FDBD00378 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.9371 -1.0475 0.6259 S.2 1 UNK -0.0283 2 O -3.2229 1.2594 -0.4866 O.3 1 UNK -0.4253 3 O1 -0.7480 0.9482 -1.3611 O.2 1 UNK -0.2697 4 O2 -2.9022 1.5719 1.8109 O.2 1 UNK -0.2507 5 O3 6.3318 0.6738 -0.0929 O.2 1 UNK -0.3957 6 O4 5.8120 -1.1006 1.0985 O.2 1 UNK -0.1294 7 N 0.4478 -0.6079 -0.0666 N.am 1 UNK -0.2605 8 N1 2.1449 0.8942 -0.8857 N.ar 1 UNK -0.2306 9 N2 5.4710 -0.1360 0.3558 N.4 1 UNK 0.0144 10 C -1.9465 -0.7673 -0.3520 C.ar 1 UNK 0.0793 11 C1 -3.1626 -0.0874 -0.2869 C.ar 1 UNK 0.1437 12 C2 -0.7071 -0.0570 -0.6353 C.2 1 UNK 0.2532 13 C3 -1.9063 -2.1462 -0.1448 C.ar 1 UNK -0.0461 14 C4 -4.3386 -0.7862 -0.0141 C.ar 1 UNK -0.0185 15 C5 -3.0823 -2.8451 0.1278 C.ar 1 UNK -0.0608 16 C6 1.7582 -0.1395 -0.2041 C.ar 1 UNK 0.1667 17 C7 -4.2984 -2.1651 0.1931 C.ar 1 UNK -0.0582 18 C8 4.1220 0.0380 0.0267 C.ar 1 UNK 0.1799 19 C9 3.5157 1.0001 -0.7535 C.ar 1 UNK 0.0672 20 C10 -3.0725 2.0188 0.6844 C.2 1 UNK 0.3092 21 C11 -3.1534 3.4811 0.3604 C.3 1 UNK 0.0336 22 H 7.2367 0.5632 0.1235 H 1 UNK 0.3292 23 H1 0.3240 -1.4108 0.4895 H 1 UNK 0.1571 24 H2 -1.0065 -2.6492 -0.1932 H 1 UNK 0.0626 25 H3 -5.2384 -0.2831 0.0344 H 1 UNK 0.0654 26 H4 -3.0526 -3.8652 0.2812 H 1 UNK 0.0618 27 H5 -5.1685 -2.6821 0.3947 H 1 UNK 0.0619 28 H6 4.0533 1.7531 -1.2106 H 1 UNK 0.0859 29 H7 -3.3054 3.6055 -0.6914 H 1 UNK 0.0342 30 H8 -2.2415 3.9612 0.6482 H 1 UNK 0.0342 31 H9 -3.9710 3.9198 0.8933 H 1 UNK 0.0342 @BOND 1 1 16 ar 2 1 18 ar 3 2 11 1 4 2 20 1 5 3 12 2 6 4 20 2 7 5 9 1 8 6 9 2 9 7 12 am 10 7 16 1 11 8 16 ar 12 8 19 ar 13 9 18 1 14 10 11 ar 15 10 12 1 16 10 13 ar 17 11 14 ar 18 13 15 ar 19 14 17 ar 20 15 17 ar 21 18 19 ar 22 20 21 1 23 5 22 1 24 7 23 1 25 13 24 1 26 14 25 1 27 15 26 1 28 17 27 1 29 19 28 1 30 21 29 1 31 21 30 1 32 21 31 1