@MOLECULE FDBD02093 29 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.6260 1.3537 0.4431 C.3 1 UNK -0.0457 2 C1 0.5302 -0.1716 0.3719 C.3 1 UNK 0.0630 3 S 1.2373 -0.7494 -1.1955 S.O2 1 UNK -0.0305 4 O 0.4272 -0.2722 -2.2609 O.2 1 UNK -0.1743 5 O1 2.6286 -0.4601 -1.1984 O.2 1 UNK -0.1743 6 C2 1.0209 -2.5457 -1.0646 C.3 1 UNK 0.0752 7 C3 1.5711 -3.2187 -2.3237 C.3 1 UNK 0.0240 8 S1 1.3547 -5.0150 -2.1928 S.3 1 UNK -0.0395 9 P -0.7137 -5.2754 -2.5777 P.3 1 UNK 0.3908 10 O2 -1.0253 -6.7208 -2.6428 O.2 1 UNK -0.2458 11 O3 -1.5694 -4.5946 -1.3960 O.3 1 UNK -0.3035 12 C4 -1.5385 -5.0600 -0.0452 C.3 1 UNK 0.0465 13 O4 -1.0900 -4.5817 -3.9810 O.3 1 UNK -0.3035 14 C5 -0.5761 -5.0340 -5.2354 C.3 1 UNK 0.0465 15 H 0.2089 1.6945 1.3677 H 1 UNK 0.0245 16 H1 0.0835 1.7836 -0.3729 H 1 UNK 0.0245 17 H2 1.6526 1.6497 0.3843 H 1 UNK 0.0245 18 H3 -0.4964 -0.4676 0.4307 H 1 UNK 0.0497 19 H4 1.0727 -0.6015 1.1879 H 1 UNK 0.0497 20 H5 -0.0198 -2.7732 -0.9643 H 1 UNK 0.0508 21 H6 1.5492 -2.9071 -0.2071 H 1 UNK 0.0508 22 H7 2.6118 -2.9912 -2.4240 H 1 UNK 0.0398 23 H8 1.0428 -2.8573 -3.1812 H 1 UNK 0.0398 24 H9 -2.1842 -4.4542 0.5556 H 1 UNK 0.0529 25 H10 -0.5387 -4.9973 0.3309 H 1 UNK 0.0529 26 H11 -1.8694 -6.0770 -0.0107 H 1 UNK 0.0529 27 H12 -0.9646 -4.4212 -6.0218 H 1 UNK 0.0529 28 H13 -0.8708 -6.0500 -5.3961 H 1 UNK 0.0529 29 H14 0.4919 -4.9695 -5.2275 H 1 UNK 0.0529 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 2 5 3 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 9 13 1 12 11 12 1 13 13 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 2 18 1 18 2 19 1 19 6 20 1 20 6 21 1 21 7 22 1 22 7 23 1 23 12 24 1 24 12 25 1 25 12 26 1 26 14 27 1 27 14 28 1 28 14 29 1