@MOLECULE FDBD03014 37 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0176 1.4478 0.0100 C.3 1 UNK 0.0833 2 O 0.0021 -0.0041 0.0020 O.3 1 UNK -0.4534 3 C1 -1.1890 -0.6315 0.0100 C.2 1 UNK 0.4065 4 O1 -2.2168 0.0162 0.0233 O.2 1 UNK -0.2260 5 N -1.2413 -1.9783 0.0033 N.am 1 UNK -0.2207 6 C2 -2.4651 -2.6230 0.0115 C.ar 1 UNK 0.2134 7 N1 -3.6284 -2.0271 0.0202 N.ar 1 UNK -0.2137 8 C3 -4.6215 -2.9561 0.0266 C.ar 1 UNK 0.0914 9 C4 -6.0156 -2.8683 0.0365 C.ar 1 UNK -0.0342 10 C5 -6.7734 -4.0182 0.0411 C.ar 1 UNK -0.0596 11 C6 -6.1627 -5.2633 0.0359 C.ar 1 UNK -0.0597 12 C7 -4.7865 -5.3663 0.0261 C.ar 1 UNK -0.0355 13 C8 -4.0090 -4.2194 0.0214 C.ar 1 UNK 0.0792 14 N2 -2.6400 -3.9840 0.0059 N.ar 1 UNK -0.2341 15 C9 -1.6670 -4.9165 -0.0100 C.2 1 UNK 0.3215 16 O2 -1.2411 -5.3323 -1.0695 O.2 1 UNK -0.2491 17 N3 -1.1664 -5.3879 1.1492 N.am 1 UNK -0.2960 18 C10 -0.1089 -6.4015 1.1320 C.3 1 UNK 0.0223 19 C11 0.2767 -6.7607 2.5684 C.3 1 UNK 0.0091 20 S 1.5863 -8.0158 2.5470 S.3 1 UNK -0.1626 21 C12 1.9022 -8.3059 4.3096 C.3 1 UNK -0.0181 22 H 1.0050 1.8251 0.0023 H 1 UNK 0.0661 23 H1 -0.5448 1.8089 -0.8731 H 1 UNK 0.0661 24 H2 -0.5278 1.7993 0.9068 H 1 UNK 0.0661 25 H3 -0.4207 -2.4954 -0.0073 H 1 UNK 0.1610 26 H4 -6.4976 -1.9019 0.0409 H 1 UNK 0.0639 27 H5 -7.8512 -3.9499 0.0491 H 1 UNK 0.0618 28 H6 -6.7678 -6.1578 0.0400 H 1 UNK 0.0618 29 H7 -4.3166 -6.3387 0.0225 H 1 UNK 0.0639 30 H8 -1.5064 -5.0560 1.9949 H 1 UNK 0.1505 31 H9 -0.4685 -7.2932 0.6185 H 1 UNK 0.0470 32 H10 0.7630 -6.0081 0.6093 H 1 UNK 0.0470 33 H11 0.6364 -5.8690 3.0818 H 1 UNK 0.0391 34 H12 -0.5951 -7.1541 3.0910 H 1 UNK 0.0391 35 H13 2.2212 -7.3756 4.7795 H 1 UNK 0.0340 36 H14 0.9896 -8.6607 4.7887 H 1 UNK 0.0340 37 H15 2.6855 -9.0558 4.4197 H 1 UNK 0.0340 @BOND 1 1 2 1 2 1 22 1 3 1 23 1 4 1 24 1 5 2 3 1 6 3 4 2 7 3 5 am 8 5 6 1 9 5 25 1 10 6 14 ar 11 6 7 ar 12 7 8 ar 13 8 13 ar 14 8 9 ar 15 9 10 ar 16 9 26 1 17 10 11 ar 18 10 27 1 19 11 12 ar 20 11 28 1 21 12 13 ar 22 12 29 1 23 13 14 ar 24 14 15 am 25 15 16 2 26 15 17 am 27 17 18 1 28 17 30 1 29 18 19 1 30 18 31 1 31 18 32 1 32 19 20 1 33 19 33 1 34 19 34 1 35 20 21 1 36 21 35 1 37 21 36 1 38 21 37 1