@MOLECULE FDBD02289 46 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C 12.5779 1.1393 -2.9081 C.1 1 UNK -0.1187 2 C1 11.6428 0.5019 -2.5955 C.1 1 UNK -0.0978 3 C2 10.4704 -0.2973 -2.2036 C.3 1 UNK 0.0669 4 C3 9.3897 0.6167 -1.6862 C.ar 1 UNK 0.1173 5 C4 8.4197 1.1850 -2.4249 C.ar 1 UNK -0.0131 6 C5 7.6315 1.9576 -1.5414 C.ar 1 UNK 0.0306 7 C6 6.4230 2.7820 -1.9033 C.3 1 UNK 0.1207 8 O 6.1711 2.6715 -3.3290 O.3 1 UNK -0.4595 9 C7 5.1215 3.3512 -3.8169 C.2 1 UNK 0.3116 10 O1 4.4360 4.0166 -3.0771 O.2 1 UNK -0.2505 11 C8 4.7981 3.2845 -5.2873 C.3 1 UNK 0.0688 12 C9 4.5325 4.6051 -6.0128 C.3 1 UNK -0.0033 13 C10 4.6144 5.8730 -5.2024 C.2 1 UNK -0.0809 14 C11 4.2336 7.0114 -5.7269 C.2 1 UNK -0.0793 15 C12 3.7136 7.0531 -7.1408 C.3 1 UNK -0.0440 16 C13 4.3155 8.2793 -4.9165 C.3 1 UNK -0.0440 17 C14 5.8347 3.8423 -6.2646 C.3 1 UNK -0.0144 18 C15 7.1203 4.4251 -5.6743 C.3 1 UNK -0.0585 19 C16 5.9889 3.1332 -7.6116 C.3 1 UNK -0.0585 20 C17 8.1669 1.8152 -0.3156 C.ar 1 UNK 0.1086 21 C18 7.6578 2.4585 0.9486 C.3 1 UNK -0.0060 22 O2 9.2281 0.9973 -0.4084 O.2 1 UNK -0.4635 23 H 13.3696 1.6789 -3.1728 H 1 UNK 0.1228 24 H1 10.7503 -0.9887 -1.4364 H 1 UNK 0.0477 25 H2 10.1056 -0.8358 -3.0532 H 1 UNK 0.0477 26 H3 8.2781 1.0776 -3.4415 H 1 UNK 0.0656 27 H4 6.6015 3.8064 -1.6510 H 1 UNK 0.0750 28 H5 5.5721 2.4244 -1.3620 H 1 UNK 0.0750 29 H6 4.2741 2.3570 -5.1872 H 1 UNK 0.0425 30 H7 3.7457 4.9845 -6.6307 H 1 UNK 0.0356 31 H8 4.9705 5.8444 -4.2342 H 1 UNK 0.0575 32 H9 3.7282 6.0668 -7.5554 H 1 UNK 0.0274 33 H10 4.3330 7.6968 -7.7298 H 1 UNK 0.0274 34 H11 2.7104 7.4253 -7.1410 H 1 UNK 0.0274 35 H12 4.7052 8.0571 -3.9451 H 1 UNK 0.0274 36 H13 3.3385 8.7048 -4.8202 H 1 UNK 0.0274 37 H14 4.9610 8.9762 -5.4089 H 1 UNK 0.0274 38 H15 6.9018 4.8954 -4.7384 H 1 UNK 0.0235 39 H16 7.5275 5.1478 -6.3502 H 1 UNK 0.0235 40 H17 7.8307 3.6397 -5.5215 H 1 UNK 0.0235 41 H18 5.0366 2.7656 -7.9322 H 1 UNK 0.0235 42 H19 6.6706 2.3150 -7.5080 H 1 UNK 0.0235 43 H20 6.3674 3.8231 -8.3366 H 1 UNK 0.0235 44 H21 6.8003 3.0577 0.7236 H 1 UNK 0.0308 45 H22 8.4243 3.0760 1.3682 H 1 UNK 0.0308 46 H23 7.3874 1.6985 1.6516 H 1 UNK 0.0308 @BOND 1 1 2 3 2 2 3 1 3 3 4 1 4 4 22 ar 5 4 5 ar 6 5 6 ar 7 6 7 1 8 6 20 ar 9 7 8 1 10 8 9 1 11 9 10 2 12 9 11 1 13 11 17 1 14 11 12 1 15 12 13 1 16 12 17 1 17 13 14 2 18 14 15 1 19 14 16 1 20 17 18 1 21 17 19 1 22 20 21 1 23 20 22 ar 24 1 23 1 25 3 24 1 26 3 25 1 27 5 26 1 28 7 27 1 29 7 28 1 30 11 29 1 31 12 30 1 32 13 31 1 33 15 32 1 34 15 33 1 35 15 34 1 36 16 35 1 37 16 36 1 38 16 37 1 39 18 38 1 40 18 39 1 41 18 40 1 42 19 41 1 43 19 42 1 44 19 43 1 45 21 44 1 46 21 45 1 47 21 46 1