@MOLECULE FDBD02078 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0308 1.8361 -0.1812 C.3 1 UNK -0.0306 2 C1 -0.0832 0.3118 -0.2461 C.3 1 UNK 0.0897 3 O 0.7086 -0.2786 0.8183 O.3 1 UNK -0.4639 4 C2 0.7158 -1.6183 0.9012 C.2 1 UNK 0.3251 5 O1 0.0815 -2.2759 0.1106 O.2 1 UNK -0.2492 6 C3 1.5151 -2.3021 1.9803 C.3 1 UNK 0.1355 7 C4 2.9185 -1.7532 1.9903 C.ar 1 UNK -0.0234 8 C5 3.1327 -0.4077 2.2244 C.ar 1 UNK -0.0570 9 C6 4.4201 0.0958 2.2335 C.ar 1 UNK -0.0615 10 C7 5.4932 -0.7461 2.0090 C.ar 1 UNK -0.0617 11 C8 5.2790 -2.0917 1.7758 C.ar 1 UNK -0.0615 12 C9 3.9920 -2.5961 1.7709 C.ar 1 UNK -0.0570 13 S 0.7370 -2.0020 3.5912 S.3 1 UNK -0.0544 14 P -0.9947 -3.2229 3.5193 P.3 1 UNK 0.2297 15 S1 -1.8380 -3.2034 5.1810 S.2 1 UNK 0.0032 16 O2 -2.0034 -2.6581 2.3988 O.3 1 UNK -0.3267 17 C10 -2.3327 -1.2730 2.2751 C.3 1 UNK 0.0441 18 O3 -0.5724 -4.7319 3.1495 O.3 1 UNK -0.3267 19 C11 0.0526 -5.6160 4.0822 C.3 1 UNK 0.0441 20 H -0.5527 2.2711 -0.9656 H 1 UNK 0.0262 21 H1 1.0552 2.1224 -0.2978 H 1 UNK 0.0262 22 H2 -0.3303 2.1808 0.7652 H 1 UNK 0.0262 23 H3 0.2779 -0.0329 -1.1925 H 1 UNK 0.0694 24 H4 -1.1076 0.0255 -0.1294 H 1 UNK 0.0694 25 H5 1.5451 -3.3545 1.7892 H 1 UNK 0.0581 26 H6 2.3316 0.2208 2.3924 H 1 UNK 0.0621 27 H7 4.5800 1.1003 2.4079 H 1 UNK 0.0618 28 H8 6.4542 -0.3701 2.0155 H 1 UNK 0.0618 29 H9 6.0800 -2.7197 1.6054 H 1 UNK 0.0618 30 H10 3.8326 -3.6019 1.6035 H 1 UNK 0.0621 31 H11 -3.0176 -1.1403 1.4638 H 1 UNK 0.0528 32 H12 -1.4425 -0.7102 2.0861 H 1 UNK 0.0528 33 H13 -2.7846 -0.9314 3.1828 H 1 UNK 0.0528 34 H14 0.2376 -6.5587 3.6111 H 1 UNK 0.0528 35 H15 -0.5912 -5.7586 4.9249 H 1 UNK 0.0528 36 H16 0.9794 -5.1926 4.4090 H 1 UNK 0.0528 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 6 13 1 8 7 12 ar 9 7 8 ar 10 8 9 ar 11 9 10 ar 12 10 11 ar 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 2 23 1 24 2 24 1 25 6 25 1 26 8 26 1 27 9 27 1 28 10 28 1 29 11 29 1 30 12 30 1 31 17 31 1 32 17 32 1 33 17 33 1 34 19 34 1 35 19 35 1 36 19 36 1