@MOLECULE FDBD00661 46 48 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.0361 3.9538 -0.0051 S.3 1 UNK -0.1249 2 O 12.2590 -1.9718 0.0411 O.3 1 UNK -0.4614 3 O1 11.0340 -3.8508 0.0784 O.2 1 UNK -0.2449 4 N 7.4224 -1.7745 0.0452 N.ar 1 UNK -0.2459 5 C 0.1997 0.7532 0.0726 C.3 1 UNK -0.0080 6 C1 -1.0813 1.5633 0.3452 C.3 1 UNK -0.0345 7 C2 1.4698 1.6139 0.0292 C.ar 1 UNK -0.0272 8 C3 0.3305 -0.3036 1.1864 C.3 1 UNK -0.0557 9 C4 0.0506 0.0247 -1.2771 C.3 1 UNK -0.0557 10 C5 -1.1808 2.7170 -0.6630 C.3 1 UNK -0.0009 11 C6 1.4727 3.0160 -0.0245 C.ar 1 UNK 0.0116 12 C7 2.6926 0.9351 0.0397 C.ar 1 UNK -0.0416 13 C8 2.6872 3.7057 -0.0794 C.ar 1 UNK -0.0469 14 C9 3.9043 1.6266 -0.0122 C.ar 1 UNK 0.0257 15 C10 3.9038 3.0208 -0.0751 C.ar 1 UNK -0.0453 16 C11 5.1488 0.9034 -0.0010 C.1 1 UNK -0.0595 17 C12 6.1892 0.2984 0.0083 C.1 1 UNK -0.0412 18 C13 7.4334 -0.4253 0.0196 C.ar 1 UNK 0.1137 19 C14 8.6423 0.2746 0.0041 C.ar 1 UNK -0.0270 20 C15 9.8080 -1.8362 0.0423 C.ar 1 UNK 0.0771 21 C16 9.8418 -0.4401 0.0157 C.ar 1 UNK -0.0437 22 C17 8.5699 -2.4843 0.0567 C.ar 1 UNK 0.0429 23 C18 11.0934 -2.6304 0.0553 C.2 1 UNK 0.3407 24 C19 13.3893 -2.8547 0.0560 C.3 1 UNK 0.0900 25 C20 14.6865 -2.0254 0.0387 C.3 1 UNK -0.0306 26 H -1.0483 1.9595 1.3386 H 1 UNK 0.0282 27 H1 -1.9349 0.9261 0.2438 H 1 UNK 0.0282 28 H2 0.4351 0.1860 2.1321 H 1 UNK 0.0238 29 H3 1.1917 -0.9112 1.0022 H 1 UNK 0.0238 30 H4 -0.5445 -0.9194 1.1984 H 1 UNK 0.0238 31 H5 -0.0416 0.7450 -2.0629 H 1 UNK 0.0238 32 H6 -0.8232 -0.5924 -1.2547 H 1 UNK 0.0238 33 H7 0.9130 -0.5843 -1.4509 H 1 UNK 0.0238 34 H8 -0.8800 2.3986 -1.6393 H 1 UNK 0.0380 35 H9 -2.1779 3.0892 -0.7730 H 1 UNK 0.0380 36 H10 2.6993 -0.0958 0.0867 H 1 UNK 0.0633 37 H11 2.6846 4.7367 -0.1238 H 1 UNK 0.0629 38 H12 4.7943 3.5406 -0.1180 H 1 UNK 0.0630 39 H13 8.6487 1.3064 -0.0157 H 1 UNK 0.0645 40 H14 10.7452 0.0587 0.0047 H 1 UNK 0.0627 41 H15 8.5329 -3.5155 0.0763 H 1 UNK 0.0838 42 H16 13.3590 -3.4880 -0.8059 H 1 UNK 0.0695 43 H17 13.3614 -3.4560 0.9406 H 1 UNK 0.0695 44 H18 14.7138 -1.4243 -0.8461 H 1 UNK 0.0262 45 H19 15.5304 -2.6831 0.0493 H 1 UNK 0.0262 46 H20 14.7167 -1.3925 0.9009 H 1 UNK 0.0262 @BOND 1 1 10 1 2 11 1 1 3 23 2 1 4 2 24 1 5 23 3 2 6 4 18 ar 7 22 4 ar 8 5 6 1 9 7 5 1 10 5 8 1 11 5 9 1 12 6 10 1 13 7 11 ar 14 12 7 ar 15 13 11 ar 16 14 12 ar 17 15 13 ar 18 14 15 ar 19 16 14 1 20 17 16 3 21 18 17 1 22 19 18 ar 23 21 19 ar 24 20 21 ar 25 20 22 ar 26 20 23 1 27 24 25 1 28 6 26 1 29 6 27 1 30 8 28 1 31 8 29 1 32 8 30 1 33 9 31 1 34 9 32 1 35 9 33 1 36 10 34 1 37 10 35 1 38 12 36 1 39 13 37 1 40 15 38 1 41 19 39 1 42 21 40 1 43 22 41 1 44 24 42 1 45 24 43 1 46 25 44 1 47 25 45 1 48 25 46 1