@MOLECULE FDBD02171 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0173 1.4248 0.0099 C.3 1 UNK 0.0464 2 O 0.0021 -0.0041 0.0020 O.3 1 UNK -0.3050 3 P 0.6778 -0.8654 -1.1785 P.3 1 UNK 0.3609 4 S 0.1754 -0.1594 -2.8283 S.2 1 UNK 0.0363 5 O1 2.2804 -0.8072 -1.0355 O.3 1 UNK -0.3050 6 C1 3.1700 -1.1984 -2.0832 C.3 1 UNK 0.0464 7 O2 0.1851 -2.3947 -1.0766 O.3 1 UNK -0.4261 8 C2 0.4306 -3.1301 -2.1928 C.ar 1 UNK 0.1297 9 C3 -0.5119 -3.1860 -3.2093 C.ar 1 UNK -0.0176 10 C4 -0.2597 -3.9338 -4.3431 C.ar 1 UNK -0.0319 11 C5 0.9307 -4.6266 -4.4652 C.ar 1 UNK 0.1052 12 C6 1.8715 -4.5728 -3.4534 C.ar 1 UNK -0.0319 13 C7 1.6267 -3.8214 -2.3202 C.ar 1 UNK -0.0176 14 S1 1.2490 -5.5799 -5.9124 S.O2 1 UNK 0.0560 15 O3 2.2046 -6.5644 -5.5422 O.2 1 UNK -0.1533 16 O4 -0.0186 -5.8983 -6.4701 O.2 1 UNK -0.1533 17 N 2.0016 -4.5835 -7.0001 N.3 1 UNK -0.2035 18 H -0.5181 1.7698 0.8903 H 1 UNK 0.0529 19 H1 -0.5348 1.7793 -0.8569 H 1 UNK 0.0529 20 H2 0.9865 1.7952 0.0023 H 1 UNK 0.0529 21 H3 4.1815 -1.0732 -1.7575 H 1 UNK 0.0529 22 H4 2.9950 -0.5896 -2.9456 H 1 UNK 0.0529 23 H5 2.9996 -2.2253 -2.3310 H 1 UNK 0.0529 24 H6 -1.4006 -2.6694 -3.1185 H 1 UNK 0.0655 25 H7 -0.9604 -3.9754 -5.0996 H 1 UNK 0.0638 26 H8 2.7573 -5.0944 -3.5448 H 1 UNK 0.0638 27 H9 2.3329 -3.7744 -1.5692 H 1 UNK 0.0655 28 H10 2.9217 -4.3247 -6.6440 H 1 UNK 0.1442 29 H11 1.4405 -3.7425 -7.1356 H 1 UNK 0.1442 @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 13 ar 9 8 9 ar 10 9 10 ar 11 10 11 ar 12 11 12 ar 13 11 14 1 14 12 13 ar 15 14 15 2 16 14 16 2 17 14 17 1 18 1 18 1 19 1 19 1 20 1 20 1 21 6 21 1 22 6 22 1 23 6 23 1 24 9 24 1 25 10 25 1 26 12 26 1 27 13 27 1 28 17 28 1 29 17 29 1