@MOLECULE FDBD01986 41 42 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.2171 1.4398 0.0913 C.3 1 UNK -0.0305 2 C1 -0.1351 -0.0863 0.0195 C.3 1 UNK 0.0914 3 O 0.4825 -0.4728 -1.2098 O.2 1 UNK -0.4502 4 C2 0.6321 -1.7965 -1.4312 C.2 1 UNK 0.3835 5 N 0.2219 -2.6531 -0.5458 N.2 1 UNK -0.2132 6 C3 0.2422 -4.0863 -0.8489 C.3 1 UNK 0.0805 7 C4 1.2511 -4.7864 0.0638 C.3 1 UNK 0.1092 8 O1 0.8111 -4.6930 1.4202 O.3 1 UNK -0.4901 9 C5 1.6002 -5.2687 2.3662 C.ar 1 UNK 0.1208 10 C6 2.7759 -5.9045 1.9954 C.ar 1 UNK -0.0165 11 C7 3.5775 -6.4892 2.9561 C.ar 1 UNK -0.0159 12 C8 3.2069 -6.4406 4.2921 C.ar 1 UNK 0.1287 13 C9 2.0311 -5.8046 4.6629 C.ar 1 UNK -0.0159 14 C10 1.2324 -5.2150 3.7025 C.ar 1 UNK -0.0165 15 O2 3.9957 -7.0166 5.2379 O.3 1 UNK -0.4560 16 C11 5.1898 -7.5324 4.8449 C.ar 1 UNK 0.1284 17 C12 6.2533 -6.6867 4.5633 C.ar 1 UNK -0.0193 18 C13 7.4663 -7.2137 4.1645 C.ar 1 UNK -0.0583 19 C14 7.6211 -8.5825 4.0452 C.ar 1 UNK -0.0615 20 C15 6.5629 -9.4274 4.3248 C.ar 1 UNK -0.0583 21 C16 5.3496 -8.9059 4.7300 C.ar 1 UNK -0.0193 22 O3 1.2081 -2.2292 -2.5732 O.2 1 UNK -0.4658 23 H -0.6795 1.7292 1.0118 H 1 UNK 0.0262 24 H1 -0.7979 1.8048 -0.7299 H 1 UNK 0.0262 25 H2 0.7688 1.8527 0.0422 H 1 UNK 0.0262 26 H3 -1.1210 -0.4992 0.0686 H 1 UNK 0.0695 27 H4 0.4457 -0.4513 0.8407 H 1 UNK 0.0695 28 H5 0.5253 -4.2308 -1.8706 H 1 UNK 0.0544 29 H6 -0.7316 -4.4989 -0.6868 H 1 UNK 0.0544 30 H7 2.2071 -4.3160 -0.0342 H 1 UNK 0.0715 31 H8 1.3301 -5.8163 -0.2155 H 1 UNK 0.0715 32 H9 3.0517 -5.9406 1.0016 H 1 UNK 0.0655 33 H10 4.4522 -6.9623 2.6801 H 1 UNK 0.0655 34 H11 1.7532 -5.7720 5.6562 H 1 UNK 0.0655 35 H12 0.3620 -4.7345 3.9792 H 1 UNK 0.0655 36 H13 6.1381 -5.6650 4.6517 H 1 UNK 0.0654 37 H14 8.2577 -6.5852 3.9554 H 1 UNK 0.0619 38 H15 8.5281 -8.9742 3.7469 H 1 UNK 0.0618 39 H16 6.6796 -10.4485 4.2307 H 1 UNK 0.0619 40 H17 4.5627 -9.5373 4.9471 H 1 UNK 0.0654 41 H18 1.5041 -1.6110 -3.2121 H 1 UNK 0.2969 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 22 1 6 5 6 1 7 6 7 1 8 7 8 1 9 8 9 1 10 9 14 ar 11 9 10 ar 12 10 11 ar 13 11 12 ar 14 12 13 ar 15 12 15 1 16 13 14 ar 17 15 16 1 18 16 21 ar 19 16 17 ar 20 17 18 ar 21 18 19 ar 22 19 20 ar 23 20 21 ar 24 1 23 1 25 1 24 1 26 1 25 1 27 2 26 1 28 2 27 1 29 6 28 1 30 6 29 1 31 7 30 1 32 7 31 1 33 10 32 1 34 11 33 1 35 13 34 1 36 14 35 1 37 17 36 1 38 18 37 1 39 19 38 1 40 20 39 1 41 21 40 1 42 22 41 1