@MOLECULE FDBD02031 29 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.2382 1.2990 0.0572 C.3 1 UNK -0.0127 2 N 0.0480 -0.1576 0.0540 N.3 1 UNK -0.3038 3 C1 0.7169 -0.7784 1.2052 C.3 1 UNK -0.0127 4 C2 -1.3797 -0.5021 0.0259 C.3 1 UNK 0.0287 5 C3 -1.5399 -1.9852 -0.3141 C.3 1 UNK 0.0188 6 S -0.8078 -2.3148 -1.9363 S.3 1 UNK -0.0663 7 C4 -1.1250 -4.0428 -2.0698 C.2 1 UNK 0.2694 8 O -1.7004 -4.6266 -1.1714 O.2 1 UNK -0.2632 9 N1 -0.7298 -4.7177 -3.1675 N.am 1 UNK -0.3203 10 C5 -1.9986 -0.2235 1.3972 C.3 1 UNK 0.0188 11 S1 -1.9943 1.5592 1.7101 S.3 1 UNK -0.0663 12 C6 -2.7395 1.5914 3.3065 C.2 1 UNK 0.2694 13 O1 -3.0777 0.5525 3.8408 O.2 1 UNK -0.2632 14 N2 -2.9346 2.7673 3.9355 N.am 1 UNK -0.3203 15 H 1.2609 1.5326 -0.2387 H 1 UNK 0.0391 16 H1 -0.4572 1.7578 -0.6457 H 1 UNK 0.0391 17 H2 0.0519 1.6875 1.0585 H 1 UNK 0.0391 18 H3 0.3017 -0.3738 2.1282 H 1 UNK 0.0391 19 H4 0.5602 -1.8568 1.1783 H 1 UNK 0.0391 20 H5 1.7850 -0.5653 1.1631 H 1 UNK 0.0391 21 H6 -1.8841 0.1004 -0.7295 H 1 UNK 0.0479 22 H7 -1.0356 -2.5877 0.4413 H 1 UNK 0.0397 23 H8 -2.5993 -2.2408 -0.3349 H 1 UNK 0.0397 24 H9 -0.2708 -4.2521 -3.8840 H 1 UNK 0.1457 25 H10 -0.9044 -5.6690 -3.2409 H 1 UNK 0.1457 26 H11 -3.0239 -0.5931 1.4149 H 1 UNK 0.0397 27 H12 -1.4167 -0.7291 2.1679 H 1 UNK 0.0397 28 H13 -2.6648 3.5959 3.5094 H 1 UNK 0.1457 29 H14 -3.3448 2.7850 4.8143 H 1 UNK 0.1457 @BOND 1 1 2 1 2 1 15 1 3 1 16 1 4 1 17 1 5 2 3 1 6 2 4 1 7 3 18 1 8 3 19 1 9 3 20 1 10 4 5 1 11 4 10 1 12 4 21 1 13 5 6 1 14 5 22 1 15 5 23 1 16 6 7 1 17 7 8 2 18 7 9 am 19 9 24 1 20 9 25 1 21 10 11 1 22 10 26 1 23 10 27 1 24 11 12 1 25 12 13 2 26 12 14 am 27 14 28 1 28 14 29 1