@MOLECULE FDBD00904 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.8019 1.2308 0.5170 S.3 1 UNK -0.1275 2 O -2.2842 -2.5451 -1.2026 O.2 1 UNK -0.2734 3 O1 -5.3517 1.0760 -0.8170 O.co2 1 UNK -0.5478 4 O2 -5.1157 -0.6970 0.5961 O.co2 1 UNK -0.5478 5 O3 2.1598 -2.0405 1.2167 O.2 1 UNK -0.2754 6 N -2.4781 -0.7369 0.3018 N.am 1 UNK -0.2761 7 N1 0.5677 -1.3807 -0.3375 N.am 1 UNK -0.3015 8 C -1.3100 -0.4177 1.1279 C.3 1 UNK 0.1003 9 C1 -2.5670 1.6679 0.1134 C.3 1 UNK 0.0366 10 C2 -3.1671 0.3360 -0.3862 C.3 1 UNK 0.0807 11 C3 -0.6142 -1.6325 0.4990 C.3 1 UNK 0.1277 12 C4 -1.9181 -1.8261 -0.3007 C.2 1 UNK 0.2401 13 C5 -3.2193 2.2224 1.3871 C.3 1 UNK -0.0486 14 C6 -2.5771 2.7313 -0.9863 C.3 1 UNK -0.0486 15 C7 -4.6296 0.1576 -0.1297 C.2 1 UNK 0.0635 16 C8 1.8730 -1.6107 0.1024 C.2 1 UNK 0.2180 17 C9 2.9020 -1.2655 -0.9563 C.3 1 UNK 0.0491 18 C10 3.8679 -0.1949 -0.5225 C.ar 1 UNK -0.0386 19 C11 3.5670 1.1373 -0.7687 C.ar 1 UNK -0.0581 20 C12 5.0457 -0.5556 0.1171 C.ar 1 UNK -0.0581 21 C13 4.4619 2.1290 -0.3670 C.ar 1 UNK -0.0615 22 C14 5.9405 0.4362 0.5190 C.ar 1 UNK -0.0615 23 C15 5.6486 1.7786 0.2769 C.ar 1 UNK -0.0617 24 H 0.4331 -1.0342 -1.2491 H 1 UNK 0.1495 25 H1 -1.2564 -0.3293 2.1929 H 1 UNK 0.0640 26 H2 -3.0425 0.3329 -1.4489 H 1 UNK 0.0576 27 H3 -0.1676 -2.3881 1.1109 H 1 UNK 0.0622 28 H4 -3.2074 1.4719 2.1497 H 1 UNK 0.0244 29 H5 -4.2307 2.5017 1.1773 H 1 UNK 0.0244 30 H6 -2.6746 3.0802 1.7224 H 1 UNK 0.0244 31 H7 -2.1206 2.3355 -1.8694 H 1 UNK 0.0244 32 H8 -2.0308 3.5903 -0.6568 H 1 UNK 0.0244 33 H9 -3.5869 3.0119 -1.2019 H 1 UNK 0.0244 34 H10 2.3881 -0.9250 -1.8309 H 1 UNK 0.0407 35 H11 3.4734 -2.1507 -1.1429 H 1 UNK 0.0407 36 H12 2.6879 1.3923 -1.2453 H 1 UNK 0.0620 37 H13 5.2578 -1.5500 0.2940 H 1 UNK 0.0620 38 H14 4.2460 3.1221 -0.5462 H 1 UNK 0.0618 39 H15 6.8184 0.1768 0.9954 H 1 UNK 0.0618 40 H16 6.3106 2.5124 0.5742 H 1 UNK 0.0618 @BOND 1 1 8 1 2 1 9 1 3 2 12 2 4 3 15 ar 5 4 15 ar 6 5 16 2 7 6 8 1 8 6 10 1 9 6 12 am 10 7 11 1 11 7 16 am 12 8 11 1 13 9 10 1 14 9 13 1 15 9 14 1 16 10 15 1 17 11 12 1 18 16 17 1 19 17 18 1 20 18 19 ar 21 18 20 ar 22 19 21 ar 23 20 22 ar 24 21 23 ar 25 22 23 ar 26 7 24 1 27 8 25 1 28 10 26 1 29 11 27 1 30 13 28 1 31 13 29 1 32 13 30 1 33 14 31 1 34 14 32 1 35 14 33 1 36 17 34 1 37 17 35 1 38 19 36 1 39 20 37 1 40 21 38 1 41 22 39 1 42 23 40 1