@MOLECULE FDBD02309 50 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.2386 -1.0146 -1.8268 C.3 1 UNK -0.0477 2 C1 -0.3215 0.0161 -0.6992 C.3 1 UNK 0.0480 3 C2 0.4481 -0.4839 0.4961 C.2 1 UNK 0.0997 4 N -0.1525 -0.6467 1.6301 N.2 1 UNK -0.0876 5 O -1.5043 -0.2523 1.7784 O.2 1 UNK -0.3887 6 C3 -2.0395 -0.4901 3.0818 C.3 1 UNK 0.1430 7 C4 -3.4755 -0.0352 3.1259 C.ar 1 UNK -0.0044 8 C5 -3.7775 1.2655 3.4857 C.ar 1 UNK -0.0550 9 C6 -5.0938 1.6862 3.5267 C.ar 1 UNK -0.0579 10 C7 -6.1113 0.8074 3.2085 C.ar 1 UNK -0.0193 11 C8 -5.8111 -0.4980 2.8472 C.ar 1 UNK 0.1288 12 C9 -4.4886 -0.9161 2.8014 C.ar 1 UNK -0.0129 13 O1 -6.8101 -1.3643 2.5339 O.3 1 UNK -0.4560 14 C10 -6.4813 -2.6641 2.3127 C.ar 1 UNK 0.1284 15 C11 -6.0668 -3.4652 3.3671 C.ar 1 UNK -0.0193 16 C12 -5.7331 -4.7862 3.1395 C.ar 1 UNK -0.0583 17 C13 -5.8114 -5.3102 1.8623 C.ar 1 UNK -0.0615 18 C14 -6.2237 -4.5139 0.8098 C.ar 1 UNK -0.0583 19 C15 -6.5649 -3.1940 1.0331 C.ar 1 UNK -0.0193 20 C16 1.8873 -0.7879 0.3728 C.ar 1 UNK 0.0006 21 C17 2.5743 -0.4641 -0.7989 C.ar 1 UNK -0.0514 22 C18 3.9190 -0.7503 -0.9079 C.ar 1 UNK -0.0428 23 C19 4.5879 -1.3579 0.1415 C.ar 1 UNK 0.0410 24 C20 3.9120 -1.6819 1.3060 C.ar 1 UNK -0.0428 25 C21 2.5686 -1.3952 1.4295 C.ar 1 UNK -0.0514 26 Cl 6.2805 -1.7154 -0.0035 Cl 1 UNK -0.0835 27 S 0.3897 1.5870 -1.2623 S.3 1 UNK -0.1547 28 C22 0.0660 2.7039 0.1299 C.3 1 UNK -0.0175 29 H -0.6581 -1.9412 -1.4946 H 1 UNK 0.0244 30 H1 0.7854 -1.1639 -2.0990 H 1 UNK 0.0244 31 H2 -0.7851 -0.6596 -2.6754 H 1 UNK 0.0244 32 H3 -1.3455 0.1654 -0.4271 H 1 UNK 0.0475 33 H4 -1.4704 0.0546 3.8059 H 1 UNK 0.0775 34 H5 -1.9897 -1.5359 3.3024 H 1 UNK 0.0775 35 H6 -3.0189 1.9233 3.7240 H 1 UNK 0.0621 36 H7 -5.3165 2.6574 3.7952 H 1 UNK 0.0619 37 H8 -7.0938 1.1217 3.2396 H 1 UNK 0.0654 38 H9 -4.2623 -1.8843 2.5251 H 1 UNK 0.0658 39 H10 -6.0079 -3.0745 4.3205 H 1 UNK 0.0654 40 H11 -5.4251 -5.3825 3.9234 H 1 UNK 0.0619 41 H12 -5.5617 -6.2973 1.6943 H 1 UNK 0.0618 42 H13 -6.2766 -4.9059 -0.1434 H 1 UNK 0.0619 43 H14 -6.8817 -2.6027 0.2489 H 1 UNK 0.0654 44 H15 2.0769 -0.0116 -1.5817 H 1 UNK 0.0624 45 H16 4.4278 -0.5112 -1.7733 H 1 UNK 0.0632 46 H17 4.4146 -2.1388 2.0830 H 1 UNK 0.0632 47 H18 2.0680 -1.6290 2.3011 H 1 UNK 0.0624 48 H19 0.4498 3.6767 -0.0965 H 1 UNK 0.0341 49 H20 0.5459 2.3268 1.0087 H 1 UNK 0.0341 50 H21 -0.9887 2.7671 0.2987 H 1 UNK 0.0341 @BOND 1 1 2 1 2 2 3 1 3 2 27 1 4 3 4 2 5 3 20 1 6 4 5 1 7 5 6 1 8 6 7 1 9 7 12 ar 10 7 8 ar 11 8 9 ar 12 9 10 ar 13 10 11 ar 14 11 12 ar 15 11 13 1 16 13 14 1 17 14 19 ar 18 14 15 ar 19 15 16 ar 20 16 17 ar 21 17 18 ar 22 18 19 ar 23 20 25 ar 24 20 21 ar 25 21 22 ar 26 22 23 ar 27 23 24 ar 28 23 26 1 29 24 25 ar 30 27 28 1 31 1 29 1 32 1 30 1 33 1 31 1 34 2 32 1 35 6 33 1 36 6 34 1 37 8 35 1 38 9 36 1 39 10 37 1 40 12 38 1 41 15 39 1 42 16 40 1 43 17 41 1 44 18 42 1 45 19 43 1 46 21 44 1 47 22 45 1 48 24 46 1 49 25 47 1 50 28 48 1 51 28 49 1 52 28 50 1