@MOLECULE FDBD01994 45 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.6381 1.3211 0.2280 C.3 1 UNK -0.0438 2 C1 0.2516 -0.1347 0.1814 C.2 1 UNK -0.0764 3 C2 0.0348 -0.7908 1.2944 C.2 1 UNK -0.0847 4 C3 0.2792 -0.1225 2.6228 C.3 1 UNK -0.0308 5 C4 -0.9927 -0.1923 3.4704 C.3 1 UNK -0.0281 6 C5 -0.7483 0.4761 4.7988 C.2 1 UNK -0.0656 7 C6 -1.0829 1.7523 4.9732 C.2 1 UNK 0.0215 8 C7 -0.6975 2.4509 6.2072 C.2 1 UNK 0.3316 9 O 0.0141 1.8972 7.0221 O.2 1 UNK -0.2456 10 O1 -1.1332 3.7060 6.4353 O.3 1 UNK -0.4649 11 C8 -0.7130 4.3345 7.6749 C.3 1 UNK 0.0820 12 C9 -0.1251 -0.3008 5.9298 C.3 1 UNK -0.0433 13 C10 0.1144 -0.8359 -1.1455 C.3 1 UNK -0.0296 14 C11 -1.2890 -0.5966 -1.7060 C.3 1 UNK -0.0202 15 C12 -1.4283 -1.3084 -3.0532 C.3 1 UNK 0.0881 16 C13 -2.7360 -1.1233 -3.8255 C.3 1 UNK 0.0904 17 C14 -3.8154 -0.2389 -3.1981 C.3 1 UNK -0.0336 18 C15 -2.6643 -1.1002 -5.3536 C.3 1 UNK -0.0336 19 O2 -2.4051 -2.3460 -3.1602 O.3 1 UNK -0.3653 20 H 0.6862 1.6449 1.2467 H 1 UNK 0.0274 21 H1 -0.0923 1.9010 -0.2965 H 1 UNK 0.0274 22 H2 1.5948 1.4511 -0.2331 H 1 UNK 0.0274 23 H3 -0.3033 -1.7653 1.2615 H 1 UNK 0.0572 24 H4 0.5458 0.9014 2.4633 H 1 UNK 0.0310 25 H5 1.0756 -0.6231 3.1328 H 1 UNK 0.0310 26 H6 -1.2592 -1.2162 3.6300 H 1 UNK 0.0313 27 H7 -1.7891 0.3082 2.9604 H 1 UNK 0.0313 28 H8 -1.6130 2.2513 4.2418 H 1 UNK 0.0688 29 H9 -1.1245 5.3206 7.7322 H 1 UNK 0.0661 30 H10 0.3551 4.3916 7.7016 H 1 UNK 0.0661 31 H11 -1.0600 3.7545 8.5044 H 1 UNK 0.0661 32 H12 0.0744 -1.3015 5.6077 H 1 UNK 0.0274 33 H13 -0.7978 -0.3213 6.7616 H 1 UNK 0.0274 34 H14 0.7906 0.1688 6.2231 H 1 UNK 0.0274 35 H15 0.2709 -1.8859 -1.0119 H 1 UNK 0.0311 36 H16 0.8420 -0.4511 -1.8292 H 1 UNK 0.0311 37 H17 -1.4455 0.4534 -1.8395 H 1 UNK 0.0294 38 H18 -2.0165 -0.9815 -1.0223 H 1 UNK 0.0294 39 H19 -0.3854 -1.2076 -3.2700 H 1 UNK 0.0625 40 H20 -3.9555 0.6344 -3.8003 H 1 UNK 0.0258 41 H21 -3.5112 0.0514 -2.2142 H 1 UNK 0.0258 42 H22 -4.7344 -0.7840 -3.1410 H 1 UNK 0.0258 43 H23 -2.9363 -0.1282 -5.7088 H 1 UNK 0.0258 44 H24 -3.3393 -1.8278 -5.7534 H 1 UNK 0.0258 45 H25 -1.6671 -1.3284 -5.6674 H 1 UNK 0.0258 @BOND 1 1 2 1 2 2 3 2 3 2 13 1 4 3 4 1 5 4 5 1 6 5 6 1 7 6 7 2 8 6 12 1 9 7 8 1 10 8 9 2 11 8 10 1 12 10 11 1 13 13 14 1 14 14 15 1 15 15 19 1 16 15 16 1 17 16 17 1 18 16 18 1 19 16 19 1 20 1 20 1 21 1 21 1 22 1 22 1 23 3 23 1 24 4 24 1 25 4 25 1 26 5 26 1 27 5 27 1 28 7 28 1 29 11 29 1 30 11 30 1 31 11 31 1 32 12 32 1 33 12 33 1 34 12 34 1 35 13 35 1 36 13 36 1 37 14 37 1 38 14 38 1 39 15 39 1 40 17 40 1 41 17 41 1 42 17 42 1 43 18 43 1 44 18 44 1 45 18 45 1