@MOLECULE FDBD02122 29 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5485 2.9719 3.0136 C.3 1 UNK 0.0465 2 O -2.1430 2.6019 1.7679 O.3 1 UNK -0.3034 3 P -3.1586 1.3621 1.6150 P.3 1 UNK 0.3963 4 O1 -4.2821 1.5247 2.5647 O.2 1 UNK -0.2456 5 O2 -3.7298 1.3187 0.1103 O.3 1 UNK -0.3034 6 C1 -4.7355 0.3965 -0.3141 C.3 1 UNK 0.0465 7 S -2.1347 -0.4462 2.0346 S.3 1 UNK 0.0291 8 C2 -3.4610 -1.6832 2.0017 C.3 1 UNK 0.2095 9 N -2.9244 -2.9853 2.4052 N.am 1 UNK -0.0663 10 C3 -2.2891 -3.9044 1.5760 C.ar 1 UNK 0.3478 11 C4 -1.9477 -4.9930 2.3815 C.ar 1 UNK 0.2303 12 C5 -1.2939 -6.0761 1.8144 C.ar 1 UNK 0.0091 13 C6 -1.0035 -6.0324 0.4574 C.ar 1 UNK 0.0630 14 C7 -1.3717 -4.9213 -0.2789 C.ar 1 UNK 0.0526 15 N1 -1.9932 -3.9046 0.2874 N.ar 1 UNK -0.1907 16 Cl -0.1858 -7.3592 -0.3072 Cl 1 UNK -0.0818 17 O3 -2.3703 -4.7164 3.6380 O.3 1 UNK -0.3643 18 C8 -2.9518 -3.5063 3.6475 C.2 1 UNK 0.6010 19 O4 -3.4354 -2.9674 4.6243 O.2 1 UNK -0.1772 20 H -0.9139 3.8209 2.8677 H 1 UNK 0.0529 21 H1 -0.9696 2.1542 3.3893 H 1 UNK 0.0529 22 H2 -2.3169 3.2176 3.7165 H 1 UNK 0.0529 23 H3 -4.9522 0.5567 -1.3496 H 1 UNK 0.0529 24 H4 -5.6236 0.5466 0.2635 H 1 UNK 0.0529 25 H5 -4.3837 -0.6043 -0.1740 H 1 UNK 0.0529 26 H6 -3.8591 -1.7530 1.0110 H 1 UNK 0.1159 27 H7 -4.2371 -1.3921 2.6783 H 1 UNK 0.1159 28 H8 -1.0299 -6.8937 2.3862 H 1 UNK 0.0672 29 H9 -1.1569 -4.8868 -1.2877 H 1 UNK 0.0846 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 3 7 1 6 5 6 1 7 7 8 1 8 8 9 1 9 9 18 am 10 9 10 1 11 10 15 ar 12 10 11 ar 13 11 12 ar 14 11 17 1 15 12 13 ar 16 13 14 ar 17 13 16 1 18 14 15 ar 19 17 18 1 20 18 19 2 21 1 20 1 22 1 21 1 23 1 22 1 24 6 23 1 25 6 24 1 26 6 25 1 27 8 26 1 28 8 27 1 29 12 28 1 30 14 29 1