@MOLECULE FDBD02175 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0178 1.4608 0.0101 C.3 1 UNK 0.0086 2 N 0.0021 -0.0041 0.0020 N.3 1 UNK -0.1827 3 C1 0.0241 -0.7433 1.2666 C.3 1 UNK 0.0086 4 S -0.0004 -0.8243 -1.4366 S.O2 1 UNK 0.0604 5 O -0.5247 -2.1160 -1.1611 O.2 1 UNK -0.1529 6 O1 -0.5660 0.0551 -2.3989 O.2 1 UNK -0.1529 7 C2 1.6816 -1.0597 -1.9056 C.ar 1 UNK 0.1057 8 C3 2.3224 -0.1085 -2.6779 C.ar 1 UNK -0.0319 9 C4 3.6409 -0.2910 -3.0474 C.ar 1 UNK -0.0176 10 C5 4.3224 -1.4295 -2.6424 C.ar 1 UNK 0.1297 11 C6 3.6774 -2.3822 -1.8672 C.ar 1 UNK -0.0176 12 C7 2.3603 -2.1926 -1.4960 C.ar 1 UNK -0.0319 13 O2 5.6194 -1.6115 -3.0050 O.3 1 UNK -0.4261 14 P 6.6828 -1.0032 -1.9604 P.3 1 UNK 0.3609 15 S1 6.1417 0.7044 -1.4464 S.2 1 UNK 0.0363 16 O3 6.7647 -1.9533 -0.6632 O.3 1 UNK -0.3050 17 C8 7.3684 -1.5429 0.5653 C.3 1 UNK 0.0464 18 O4 8.1320 -0.9199 -2.6570 O.3 1 UNK -0.3050 19 C9 9.2103 -0.1508 -2.1207 C.3 1 UNK 0.0464 20 H -0.0130 1.8120 1.0208 H 1 UNK 0.0408 21 H1 -0.9010 1.8082 -0.4840 H 1 UNK 0.0408 22 H2 0.8460 1.8321 -0.5006 H 1 UNK 0.0408 23 H3 0.0225 -0.0524 2.0836 H 1 UNK 0.0408 24 H4 0.9065 -1.3469 1.3116 H 1 UNK 0.0408 25 H5 -0.8406 -1.3705 1.3282 H 1 UNK 0.0408 26 H6 1.8152 0.7385 -2.9785 H 1 UNK 0.0638 27 H7 4.1186 0.4190 -3.6243 H 1 UNK 0.0655 28 H8 4.1811 -3.2318 -1.5681 H 1 UNK 0.0655 29 H9 1.8826 -2.8971 -0.9125 H 1 UNK 0.0638 30 H10 7.3035 -2.3385 1.2779 H 1 UNK 0.0529 31 H11 6.8573 -0.6824 0.9439 H 1 UNK 0.0529 32 H12 8.3964 -1.3005 0.3940 H 1 UNK 0.0529 33 H13 10.0677 -0.2492 -2.7532 H 1 UNK 0.0529 34 H14 9.4481 -0.5056 -1.1397 H 1 UNK 0.0529 35 H15 8.9225 0.8784 -2.0677 H 1 UNK 0.0529 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 2 6 4 7 1 7 7 12 ar 8 7 8 ar 9 8 9 ar 10 9 10 ar 11 10 11 ar 12 10 13 1 13 11 12 ar 14 13 14 1 15 14 15 2 16 14 16 1 17 14 18 1 18 16 17 1 19 18 19 1 20 1 20 1 21 1 21 1 22 1 22 1 23 3 23 1 24 3 24 1 25 3 25 1 26 8 26 1 27 9 27 1 28 11 28 1 29 12 29 1 30 17 30 1 31 17 31 1 32 17 32 1 33 19 33 1 34 19 34 1 35 19 35 1