@MOLECULE FDBD00338 48 47 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.5811 -0.1379 0.1217 S.3 1 UNK -0.0009 2 O 0.7813 0.6830 -0.2822 O.3 1 UNK -0.2547 3 O1 -0.6271 -1.4100 -0.5989 O.co2 1 UNK -0.2682 4 O2 -1.7395 0.6560 -0.2389 O.2 1 UNK -0.3452 5 O3 -0.6009 -0.3879 1.5503 O.2 1 UNK -0.3452 6 C 9.4753 -0.1588 0.1103 C.3 1 UNK -0.0531 7 C1 10.7421 0.6369 -0.2534 C.3 1 UNK -0.0531 8 C2 8.2297 0.6523 -0.2904 C.3 1 UNK -0.0531 9 C3 11.9877 -0.1713 0.1532 C.3 1 UNK -0.0531 10 C4 6.9628 -0.1401 0.0802 C.3 1 UNK -0.0531 11 C5 13.2544 0.6266 -0.2058 C.3 1 UNK -0.0531 12 C6 5.7172 0.6745 -0.3132 C.3 1 UNK -0.0530 13 C7 14.4999 -0.1801 0.2041 C.3 1 UNK -0.0531 14 C8 4.4503 -0.1144 0.0646 C.3 1 UNK -0.0509 15 C9 15.7667 0.6190 -0.1523 C.3 1 UNK -0.0533 16 C10 3.2047 0.7036 -0.3217 C.3 1 UNK -0.0273 17 C11 17.0125 -0.1871 0.2585 C.3 1 UNK -0.0559 18 C12 1.9387 -0.0831 0.0626 C.3 1 UNK 0.0748 19 C13 18.2801 0.6115 -0.0971 C.3 1 UNK -0.0653 20 H 9.4586 -0.3412 1.1645 H 1 UNK 0.0265 21 H1 9.4773 -1.0925 -0.4123 H 1 UNK 0.0265 22 H2 10.7379 1.5720 0.2666 H 1 UNK 0.0265 23 H3 10.7610 0.8164 -1.3081 H 1 UNK 0.0265 24 H4 8.2437 0.8302 -1.3454 H 1 UNK 0.0265 25 H5 8.2305 1.5882 0.2282 H 1 UNK 0.0265 26 H6 11.9938 -1.1049 -0.3695 H 1 UNK 0.0265 27 H7 11.9670 -0.3538 1.2073 H 1 UNK 0.0265 28 H8 6.9516 -0.3228 1.1344 H 1 UNK 0.0265 29 H9 6.9593 -1.0736 -0.4427 H 1 UNK 0.0265 30 H10 13.2471 1.5613 0.3149 H 1 UNK 0.0265 31 H11 13.2764 0.8070 -1.2602 H 1 UNK 0.0265 32 H12 5.7256 0.8525 -1.3683 H 1 UNK 0.0265 33 H13 5.7236 1.6104 0.2055 H 1 UNK 0.0265 34 H14 14.5082 -1.1140 -0.3181 H 1 UNK 0.0265 35 H15 14.4769 -0.3622 1.2582 H 1 UNK 0.0265 36 H16 4.4446 -0.2971 1.1189 H 1 UNK 0.0266 37 H17 4.4412 -1.0479 -0.4582 H 1 UNK 0.0266 38 H18 15.7580 1.5532 0.3694 H 1 UNK 0.0265 39 H19 15.7900 0.8003 -1.2066 H 1 UNK 0.0265 40 H20 3.2077 0.8823 -1.3767 H 1 UNK 0.0288 41 H21 3.2159 1.6394 0.1971 H 1 UNK 0.0288 42 H22 17.0212 -1.1211 -0.2634 H 1 UNK 0.0263 43 H23 16.9888 -0.3682 1.3128 H 1 UNK 0.0263 44 H24 1.9219 -1.0131 -0.4662 H 1 UNK 0.0583 45 H25 1.9414 -0.2729 1.1156 H 1 UNK 0.0583 46 H26 18.3036 0.7924 -1.1514 H 1 UNK 0.0230 47 H27 19.1461 0.0515 0.1881 H 1 UNK 0.0230 48 H28 18.2714 1.5455 0.4250 H 1 UNK 0.0230 @BOND 1 2 1 1 2 1 3 1 3 1 4 2 4 1 5 2 5 18 2 1 6 6 7 1 7 8 6 1 8 7 9 1 9 10 8 1 10 9 11 1 11 12 10 1 12 11 13 1 13 14 12 1 14 13 15 1 15 16 14 1 16 15 17 1 17 16 18 1 18 17 19 1 19 6 20 1 20 6 21 1 21 7 22 1 22 7 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 14 36 1 36 14 37 1 37 15 38 1 38 15 39 1 39 16 40 1 40 16 41 1 41 17 42 1 42 17 43 1 43 18 44 1 44 18 45 1 45 19 46 1 46 19 47 1 47 19 48 1