@MOLECULE FDBD03248 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0178 1.4608 0.0101 C.3 1 UNK 0.0004 2 N 0.0021 -0.0041 0.0020 N.pl3 1 UNK -0.3360 3 C1 0.0241 -0.7433 1.2666 C.3 1 UNK 0.0004 4 C2 0.0000 -0.6936 -1.2074 C.ar 1 UNK 0.0293 5 C3 0.0132 -2.0853 -1.2132 C.ar 1 UNK -0.0386 6 C4 0.0116 -2.7702 -2.4073 C.ar 1 UNK -0.0328 7 C5 -0.0037 -2.0663 -3.6150 C.ar 1 UNK 0.0877 8 C6 -0.0173 -0.6684 -3.6055 C.ar 1 UNK -0.0328 9 C7 -0.0210 0.0103 -2.4079 C.ar 1 UNK -0.0386 10 N1 -0.0048 -2.7436 -4.8030 N.2 1 UNK -0.1324 11 N2 -0.0183 -2.1178 -5.8734 N.2 1 UNK -0.0464 12 S -0.0197 -2.9381 -7.3120 S.3 1 UNK 0.0047 13 O 1.2362 -3.5971 -7.3994 O.2 1 UNK -0.3481 14 O1 -1.2631 -3.6224 -7.3826 O.2 1 UNK -0.3481 15 O2 -0.0377 -1.8983 -8.4234 O.co2 1 UNK -0.2707 16 H -0.0130 1.8120 1.0208 H 1 UNK 0.0428 17 H1 -0.9010 1.8082 -0.4840 H 1 UNK 0.0428 18 H2 0.8461 1.8321 -0.5006 H 1 UNK 0.0428 19 H3 0.0225 -0.0524 2.0836 H 1 UNK 0.0428 20 H4 0.9065 -1.3468 1.3116 H 1 UNK 0.0428 21 H5 -0.8406 -1.3705 1.3282 H 1 UNK 0.0428 22 H6 0.0242 -2.6044 -0.3213 H 1 UNK 0.0637 23 H7 0.0217 -3.8021 -2.4109 H 1 UNK 0.0640 24 H8 -0.0246 -0.1458 -4.4954 H 1 UNK 0.0640 25 H9 -0.0394 1.0421 -2.4002 H 1 UNK 0.0637 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 9 ar 5 4 5 ar 6 5 6 ar 7 6 7 ar 8 7 8 ar 9 7 10 1 10 8 9 ar 11 10 11 2 12 11 12 1 13 12 13 2 14 12 14 2 15 12 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 5 22 1 23 6 23 1 24 8 24 1 25 9 25 1