@MOLECULE FDBD02034 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.6022 1.6797 0.0294 C.3 1 UNK -0.0430 2 N 0.4185 0.2254 -0.0656 N.4 1 UNK 0.2343 3 C1 1.1360 -0.4675 1.0129 C.3 1 UNK -0.0430 4 C2 -1.0077 -0.1266 -0.0601 C.3 1 UNK -0.0001 5 C3 -1.1797 -1.5656 -0.5504 C.3 1 UNK 0.0568 6 S -0.5899 -1.6962 -2.2609 S.3 1 UNK -0.0210 7 S1 -2.0933 -0.8094 -3.3361 S.3 1 UNK -0.0638 8 O -1.7762 -1.0065 -4.7071 O.2 1 UNK -0.3610 9 O1 -3.3139 -1.2414 -2.7507 O.2 1 UNK -0.3610 10 O2 -2.0030 0.6891 -3.0852 O.co2 1 UNK -0.2817 11 C4 -1.5579 -0.0033 1.3622 C.3 1 UNK 0.0568 12 S2 -1.5898 1.7440 1.8488 S.3 1 UNK -0.0210 13 S3 -3.0812 2.5218 0.6769 S.3 1 UNK -0.0638 14 O3 -3.0356 3.9312 0.8523 O.2 1 UNK -0.3610 15 O4 -2.9643 1.8923 -0.5917 O.2 1 UNK -0.3610 16 O5 -4.4056 2.0580 1.2664 O.co2 1 UNK -0.2817 17 H 1.6475 1.9083 0.0234 H 1 UNK 0.0777 18 H1 0.1644 2.0359 0.9385 H 1 UNK 0.0777 19 H2 0.1285 2.1543 -0.8044 H 1 UNK 0.0777 20 H3 0.8140 -0.0831 -0.9538 H 1 UNK 0.2031 21 H4 0.7401 -0.1615 1.9587 H 1 UNK 0.0777 22 H5 2.1761 -0.2211 0.9651 H 1 UNK 0.0777 23 H6 1.0144 -1.5246 0.9005 H 1 UNK 0.0777 24 H7 -1.5414 0.5371 -0.7078 H 1 UNK 0.0868 25 H8 -2.2142 -1.8355 -0.5083 H 1 UNK 0.0447 26 H9 -0.6133 -2.2251 0.0735 H 1 UNK 0.0447 27 H10 -0.9312 -0.5497 2.0357 H 1 UNK 0.0447 28 H11 -2.5506 -0.4013 1.3964 H 1 UNK 0.0447 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 4 11 1 6 5 6 1 7 6 7 1 8 7 8 2 9 7 9 2 10 7 10 1 11 11 12 1 12 12 13 1 13 13 14 2 14 13 15 2 15 13 16 1 16 1 17 1 17 1 18 1 18 1 19 1 19 2 20 1 20 3 21 1 21 3 22 1 22 3 23 1 23 4 24 1 24 5 25 1 25 5 26 1 26 11 27 1 27 11 28 1