@MOLECULE FDBD02213 46 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.6360 1.3680 0.3080 C.3 1 UNK -0.0411 2 C1 0.5158 -0.1541 0.2107 C.3 1 UNK 0.0539 3 O 0.8907 -0.5787 -1.1013 O.3 1 UNK -0.3113 4 P 1.0019 -2.1285 -1.5231 P.3 1 UNK 0.2946 5 S 2.5434 -2.8656 -0.7793 S.2 1 UNK 0.0222 6 N -0.3470 -2.9617 -0.9587 N.3 1 UNK -0.2364 7 C2 -1.5711 -2.4924 -1.6215 C.3 1 UNK 0.0106 8 C3 -1.8923 -3.4065 -2.8057 C.3 1 UNK -0.0495 9 C4 -2.7327 -2.5199 -0.6262 C.3 1 UNK -0.0495 10 O1 1.0718 -2.2443 -3.1274 O.3 1 UNK -0.4336 11 C5 2.1855 -1.6942 -3.6722 C.ar 1 UNK 0.1427 12 C6 3.4044 -2.3493 -3.5768 C.ar 1 UNK -0.0187 13 C7 4.5371 -1.7882 -4.1318 C.ar 1 UNK -0.0583 14 C8 4.4667 -0.5696 -4.7876 C.ar 1 UNK -0.0608 15 C9 3.2646 0.0950 -4.8926 C.ar 1 UNK -0.0442 16 C10 2.1089 -0.4636 -4.3395 C.ar 1 UNK 0.1009 17 C11 0.8192 0.2417 -4.4484 C.2 1 UNK 0.3430 18 O2 -0.1833 -0.2473 -3.9663 O.2 1 UNK -0.2448 19 O3 0.7519 1.4287 -5.0826 O.3 1 UNK -0.4583 20 C12 -0.5508 2.0663 -5.1516 C.3 1 UNK 0.0978 21 C13 -0.7417 2.9699 -3.9318 C.3 1 UNK -0.0280 22 C14 -0.6407 2.9060 -6.4274 C.3 1 UNK -0.0280 23 H 0.3553 1.6859 1.2904 H 1 UNK 0.0252 24 H1 -0.0105 1.8236 -0.4127 H 1 UNK 0.0252 25 H2 1.6473 1.6590 0.1143 H 1 UNK 0.0252 26 H3 -0.4955 -0.4451 0.4044 H 1 UNK 0.0562 27 H4 1.1623 -0.6097 0.9313 H 1 UNK 0.0562 28 H5 -0.4342 -2.8133 0.0467 H 1 UNK 0.1324 29 H6 -1.4257 -1.4920 -1.9722 H 1 UNK 0.0459 30 H7 -2.0377 -4.4069 -2.4549 H 1 UNK 0.0245 31 H8 -1.0799 -3.3872 -3.5018 H 1 UNK 0.0245 32 H9 -2.7839 -3.0647 -3.2885 H 1 UNK 0.0245 33 H10 -2.8782 -3.5202 -0.2754 H 1 UNK 0.0245 34 H11 -3.6243 -2.1781 -1.1090 H 1 UNK 0.0245 35 H12 -2.5080 -1.8807 0.2019 H 1 UNK 0.0245 36 H13 3.4646 -3.2574 -3.0903 H 1 UNK 0.0654 37 H14 5.4417 -2.2793 -4.0578 H 1 UNK 0.0619 38 H15 5.3188 -0.1580 -5.1993 H 1 UNK 0.0618 39 H16 3.2174 1.0040 -5.3789 H 1 UNK 0.0627 40 H17 -1.3145 1.3169 -5.1633 H 1 UNK 0.0728 41 H18 0.0219 3.7193 -3.9201 H 1 UNK 0.0265 42 H19 -0.6788 2.3826 -3.0396 H 1 UNK 0.0265 43 H20 -1.7017 3.4397 -3.9827 H 1 UNK 0.0265 44 H21 0.1230 3.6554 -6.4157 H 1 UNK 0.0265 45 H22 -1.6007 3.3758 -6.4783 H 1 UNK 0.0265 46 H23 -0.5072 2.2740 -7.2805 H 1 UNK 0.0265 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 4 10 1 7 6 7 1 8 7 8 1 9 7 9 1 10 10 11 1 11 11 16 ar 12 11 12 ar 13 12 13 ar 14 13 14 ar 15 14 15 ar 16 15 16 ar 17 16 17 1 18 17 18 2 19 17 19 1 20 19 20 1 21 20 21 1 22 20 22 1 23 1 23 1 24 1 24 1 25 1 25 1 26 2 26 1 27 2 27 1 28 6 28 1 29 7 29 1 30 8 30 1 31 8 31 1 32 8 32 1 33 9 33 1 34 9 34 1 35 9 35 1 36 12 36 1 37 13 37 1 38 14 38 1 39 15 39 1 40 20 40 1 41 21 41 1 42 21 42 1 43 21 43 1 44 22 44 1 45 22 45 1 46 22 46 1