@MOLECULE FDBD00243 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.1398 2.1322 -0.1283 S.O2 1 UNK 0.0746 2 O -0.4247 3.2677 0.5914 O.2 1 UNK -0.1499 3 O1 0.6069 2.3289 -1.4952 O.2 1 UNK -0.1499 4 N 1.4133 1.4731 0.8269 N.pl3 1 UNK -0.1836 5 N1 -3.9120 -2.2199 -0.1088 N.pl3 1 UNK -0.3580 6 N2 1.6710 -0.8093 1.3641 N.ar 1 UNK -0.2217 7 N3 2.5685 0.0813 -0.6873 N.ar 1 UNK -0.2217 8 C -1.0497 0.8542 -0.1226 C.ar 1 UNK 0.1087 9 C1 -2.0260 0.8146 0.8730 C.ar 1 UNK -0.0333 10 C2 -1.0239 -0.1274 -1.1134 C.ar 1 UNK -0.0333 11 C3 -2.9505 -1.1878 -0.1128 C.ar 1 UNK 0.0247 12 C4 -2.9763 -0.2065 0.8778 C.ar 1 UNK -0.0392 13 C5 -1.9743 -1.1484 -1.1085 C.ar 1 UNK -0.0392 14 C6 1.9145 0.1704 0.4806 C.ar 1 UNK 0.2347 15 C7 2.1542 -2.0175 1.0076 C.ar 1 UNK 0.0327 16 C8 3.0241 -1.1541 -0.9808 C.ar 1 UNK 0.0327 17 C9 2.8452 -2.2516 -0.1636 C.ar 1 UNK -0.0253 18 H 1.7870 1.9738 1.5877 H 1 UNK 0.1767 19 H1 -4.6011 -2.2480 0.5938 H 1 UNK 0.1423 20 H2 -3.8940 -2.9122 -0.8086 H 1 UNK 0.1423 21 H3 -2.0452 1.5408 1.6060 H 1 UNK 0.0638 22 H4 -0.3017 -0.0982 -1.8500 H 1 UNK 0.0638 23 H5 -3.6985 -0.2358 1.6144 H 1 UNK 0.0636 24 H6 -1.9553 -1.8746 -1.8415 H 1 UNK 0.0636 25 H7 1.9981 -2.8120 1.6475 H 1 UNK 0.0831 26 H8 3.5357 -1.2860 -1.8673 H 1 UNK 0.0831 27 H9 3.2048 -3.1864 -0.4122 H 1 UNK 0.0648 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 8 1 5 4 14 1 6 5 11 1 7 6 14 ar 8 6 15 ar 9 7 14 ar 10 7 16 ar 11 8 9 ar 12 8 10 ar 13 9 12 ar 14 10 13 ar 15 11 12 ar 16 11 13 ar 17 15 17 ar 18 16 17 ar 19 4 18 1 20 5 19 1 21 5 20 1 22 9 21 1 23 10 22 1 24 12 23 1 25 13 24 1 26 15 25 1 27 16 26 1 28 17 27 1