@MOLECULE FDBD01875 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.1412 1.4425 0.8147 C.3 1 UNK 0.0033 2 N -1.0125 -0.0151 0.7439 N.am 1 UNK -0.2824 3 C1 -0.1983 -0.6621 1.6012 C.2 1 UNK 0.4258 4 O 0.4292 -0.0364 2.4328 O.2 1 UNK -0.2241 5 O1 -0.0800 -2.0016 1.5362 O.3 1 UNK -0.2979 6 N1 0.6706 -2.5300 2.3368 N.2 1 UNK -0.0611 7 C2 0.8286 -3.8201 2.3259 C.2 1 UNK 0.1980 8 C3 1.8539 -4.4486 3.1928 C.2 1 UNK 0.2742 9 O2 1.9130 -5.6587 3.2844 O.2 1 UNK -0.2676 10 N2 2.7204 -3.6777 3.8793 N.am 1 UNK -0.3019 11 C4 3.7643 -4.2994 4.6979 C.3 1 UNK 0.0032 12 C5 2.6185 -2.2181 3.8069 C.3 1 UNK 0.0032 13 S -0.1759 -4.8220 1.2810 S.3 1 UNK -0.1010 14 C6 -1.2780 -3.5585 0.5990 C.3 1 UNK -0.0118 15 H -0.1665 1.9018 0.6495 H 1 UNK 0.0427 16 H1 -1.8379 1.7834 0.0488 H 1 UNK 0.0427 17 H2 -1.5149 1.7270 1.7983 H 1 UNK 0.0427 18 H3 -1.5133 -0.5145 0.0801 H 1 UNK 0.1517 19 H4 4.6589 -4.4492 4.0935 H 1 UNK 0.0428 20 H5 3.9999 -3.6499 5.5409 H 1 UNK 0.0428 21 H6 3.4107 -5.2616 5.0683 H 1 UNK 0.0428 22 H7 1.8755 -1.8697 4.5244 H 1 UNK 0.0428 23 H8 3.5860 -1.7742 4.0413 H 1 UNK 0.0428 24 H9 2.3180 -1.9243 2.8012 H 1 UNK 0.0428 25 H10 -1.9838 -4.0247 -0.0884 H 1 UNK 0.0344 26 H11 -1.8247 -3.0772 1.4100 H 1 UNK 0.0344 27 H12 -0.6893 -2.8127 0.0650 H 1 UNK 0.0344 @BOND 1 1 2 1 2 1 15 1 3 1 16 1 4 1 17 1 5 2 3 am 6 2 18 1 7 3 4 2 8 3 5 1 9 5 6 1 10 6 7 2 11 7 8 1 12 7 13 1 13 8 9 2 14 8 10 am 15 10 11 1 16 10 12 1 17 11 19 1 18 11 20 1 19 11 21 1 20 12 22 1 21 12 23 1 22 12 24 1 23 13 14 1 24 14 25 1 25 14 26 1 26 14 27 1