@MOLECULE FDBD02030 48 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.2617 1.4325 0.1279 C.3 1 UNK -0.0430 2 N -0.1929 -0.0338 0.1825 N.4 1 UNK 0.2343 3 C1 0.3031 -0.4894 1.4881 C.3 1 UNK -0.0430 4 C2 -1.4985 -0.6338 -0.1231 C.3 1 UNK 0.0000 5 C3 -1.3224 -2.1301 -0.3897 C.3 1 UNK 0.0589 6 S -0.3189 -2.3643 -1.8825 S.3 1 UNK 0.0073 7 S1 -0.5049 -4.3719 -2.2530 S.O2 1 UNK 0.0485 8 O 0.3931 -4.6692 -3.3133 O.2 1 UNK -0.1581 9 O1 -0.4566 -5.0194 -0.9889 O.2 1 UNK -0.1581 10 C4 -2.1277 -4.6373 -2.8861 C.ar 1 UNK 0.1001 11 C5 -3.1874 -4.8193 -2.0173 C.ar 1 UNK -0.0359 12 C6 -4.4605 -5.0275 -2.5141 C.ar 1 UNK -0.0599 13 C7 -4.6740 -5.0532 -3.8796 C.ar 1 UNK -0.0616 14 C8 -3.6144 -4.8703 -4.7484 C.ar 1 UNK -0.0599 15 C9 -2.3421 -4.6578 -4.2516 C.ar 1 UNK -0.0359 16 C10 -2.4419 -0.4350 1.0649 C.3 1 UNK 0.0589 17 S2 -2.8110 1.3309 1.2550 S.3 1 UNK 0.0073 18 S3 -3.9851 1.7347 -0.3763 S.O2 1 UNK 0.0485 19 O2 -4.1530 3.1453 -0.4104 O.2 1 UNK -0.1581 20 O3 -3.4399 0.9905 -1.4571 O.2 1 UNK -0.1581 21 C11 -5.5772 1.0518 -0.0549 C.ar 1 UNK 0.1001 22 C12 -5.8584 -0.2501 -0.4251 C.ar 1 UNK -0.0359 23 C13 -7.1075 -0.7859 -0.1730 C.ar 1 UNK -0.0599 24 C14 -8.0753 -0.0200 0.4497 C.ar 1 UNK -0.0616 25 C15 -7.7938 1.2816 0.8207 C.ar 1 UNK -0.0599 26 C16 -6.5433 1.8160 0.5725 C.ar 1 UNK -0.0359 27 H 0.7001 1.8433 0.3538 H 1 UNK 0.0777 28 H1 -0.9762 1.7829 0.8432 H 1 UNK 0.0777 29 H2 -0.5591 1.7393 -0.8531 H 1 UNK 0.0777 30 H3 0.4687 -0.3432 -0.5295 H 1 UNK 0.2031 31 H4 -0.3741 -0.1774 2.2556 H 1 UNK 0.0777 32 H5 1.2686 -0.0657 1.6705 H 1 UNK 0.0777 33 H6 0.3761 -1.5569 1.4892 H 1 UNK 0.0777 34 H7 -1.9129 -0.1634 -0.9902 H 1 UNK 0.0868 35 H8 -2.2817 -2.5827 -0.5302 H 1 UNK 0.0448 36 H9 -0.8319 -2.5858 0.4449 H 1 UNK 0.0448 37 H10 -3.0281 -4.7997 -0.9979 H 1 UNK 0.0637 38 H11 -5.2516 -5.1638 -1.8655 H 1 UNK 0.0618 39 H12 -5.6244 -5.2089 -4.2504 H 1 UNK 0.0618 40 H13 -3.7733 -4.8924 -5.7679 H 1 UNK 0.0618 41 H14 -1.5522 -4.5144 -4.9001 H 1 UNK 0.0637 42 H15 -1.9751 -0.7998 1.9560 H 1 UNK 0.0448 43 H16 -3.3507 -0.9728 0.8925 H 1 UNK 0.0448 44 H17 -5.1358 -0.8220 -0.8897 H 1 UNK 0.0637 45 H18 -7.3175 -1.7577 -0.4497 H 1 UNK 0.0618 46 H19 -9.0079 -0.4199 0.6376 H 1 UNK 0.0618 47 H20 -8.5172 1.8543 1.2830 H 1 UNK 0.0618 48 H21 -6.3310 2.7854 0.8556 H 1 UNK 0.0637 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 4 16 1 6 5 6 1 7 6 7 1 8 7 8 2 9 7 9 2 10 7 10 1 11 10 15 ar 12 10 11 ar 13 11 12 ar 14 12 13 ar 15 13 14 ar 16 14 15 ar 17 16 17 1 18 17 18 1 19 18 19 2 20 18 20 2 21 18 21 1 22 21 26 ar 23 21 22 ar 24 22 23 ar 25 23 24 ar 26 24 25 ar 27 25 26 ar 28 1 27 1 29 1 28 1 30 1 29 1 31 2 30 1 32 3 31 1 33 3 32 1 34 3 33 1 35 4 34 1 36 5 35 1 37 5 36 1 38 11 37 1 39 12 38 1 40 13 39 1 41 14 40 1 42 15 41 1 43 16 42 1 44 16 43 1 45 22 44 1 46 23 45 1 47 24 46 1 48 25 47 1 49 26 48 1