@MOLECULE FDBD01992 51 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5001 1.7702 -0.3299 C.3 1 UNK -0.0616 2 C1 0.3617 0.2584 -0.1399 C.3 1 UNK -0.0346 3 C2 0.9770 -0.4542 -1.3166 C.2 1 UNK -0.0736 4 C3 2.2171 -0.8718 -1.2541 C.2 1 UNK -0.0845 5 C4 3.0743 -0.5126 -0.0679 C.3 1 UNK -0.0308 6 C5 3.5203 -1.7909 0.6448 C.3 1 UNK -0.0281 7 C6 4.3775 -1.4317 1.8310 C.2 1 UNK -0.0656 8 C7 3.8308 -1.3274 3.0399 C.2 1 UNK 0.0215 9 C8 4.6321 -0.8343 4.1687 C.2 1 UNK 0.3316 10 O 5.7573 -0.4163 3.9783 O.2 1 UNK -0.2456 11 O1 4.1191 -0.8456 5.4152 O.3 1 UNK -0.4649 12 C9 4.9671 -0.3435 6.4815 C.3 1 UNK 0.0820 13 C10 5.8539 -1.1906 1.6484 C.3 1 UNK -0.0433 14 C11 0.1657 -0.6865 -2.5652 C.3 1 UNK -0.0293 15 C12 -0.6577 -1.9664 -2.4077 C.3 1 UNK -0.0202 16 C13 -1.4813 -2.2021 -3.6753 C.3 1 UNK 0.0884 17 C14 -2.4437 -3.3915 -3.6893 C.3 1 UNK 0.0930 18 C15 -3.7497 -3.2427 -4.4723 C.3 1 UNK -0.0334 19 C16 -2.5178 -4.2634 -2.4342 C.3 1 UNK -0.0244 20 C17 -3.5312 -5.3884 -2.6538 C.3 1 UNK -0.0626 21 O2 -1.2190 -3.3875 -4.4290 O.3 1 UNK -0.3650 22 H 0.0632 2.2761 0.5056 H 1 UNK 0.0233 23 H1 -0.0024 2.0643 -1.2276 H 1 UNK 0.0233 24 H2 1.5363 2.0274 -0.4006 H 1 UNK 0.0233 25 H3 -0.6745 0.0012 -0.0692 H 1 UNK 0.0307 26 H4 0.8643 -0.0357 0.7578 H 1 UNK 0.0307 27 H5 2.6070 -1.4468 -2.0172 H 1 UNK 0.0572 28 H6 2.5104 0.0948 0.6088 H 1 UNK 0.0310 29 H7 3.9350 0.0290 -0.4008 H 1 UNK 0.0310 30 H8 4.0842 -2.3983 -0.0319 H 1 UNK 0.0313 31 H9 2.6596 -2.3325 0.9777 H 1 UNK 0.0313 32 H10 2.8441 -1.5928 3.1846 H 1 UNK 0.0688 33 H11 4.4444 -0.4074 7.4129 H 1 UNK 0.0661 34 H12 5.2213 0.6770 6.2844 H 1 UNK 0.0661 35 H13 5.8605 -0.9301 6.5329 H 1 UNK 0.0661 36 H14 6.1113 -1.3180 0.6177 H 1 UNK 0.0274 37 H15 6.4055 -1.8888 2.2427 H 1 UNK 0.0274 38 H16 6.0931 -0.1938 1.9552 H 1 UNK 0.0274 39 H17 0.8226 -0.7859 -3.4040 H 1 UNK 0.0311 40 H18 -0.4914 0.1431 -2.7231 H 1 UNK 0.0311 41 H19 -1.3146 -1.8670 -1.5689 H 1 UNK 0.0294 42 H20 -0.0007 -2.7960 -2.2498 H 1 UNK 0.0294 43 H21 -1.5482 -1.1551 -3.8857 H 1 UNK 0.0625 44 H22 -4.5767 -3.2628 -3.7937 H 1 UNK 0.0258 45 H23 -3.8411 -4.0488 -5.1700 H 1 UNK 0.0258 46 H24 -3.7446 -2.3124 -5.0009 H 1 UNK 0.0258 47 H25 -2.8241 -3.6649 -1.6018 H 1 UNK 0.0291 48 H26 -1.5546 -4.6848 -2.2353 H 1 UNK 0.0291 49 H27 -4.4944 -4.9670 -2.8527 H 1 UNK 0.0231 50 H28 -3.5830 -5.9981 -1.7761 H 1 UNK 0.0231 51 H29 -3.2249 -5.9869 -3.4862 H 1 UNK 0.0231 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 14 1 5 4 5 1 6 5 6 1 7 6 7 1 8 7 8 2 9 7 13 1 10 8 9 1 11 9 10 2 12 9 11 1 13 11 12 1 14 14 15 1 15 15 16 1 16 16 21 1 17 16 17 1 18 17 18 1 19 17 19 1 20 17 21 1 21 19 20 1 22 1 22 1 23 1 23 1 24 1 24 1 25 2 25 1 26 2 26 1 27 4 27 1 28 5 28 1 29 5 29 1 30 6 30 1 31 6 31 1 32 8 32 1 33 12 33 1 34 12 34 1 35 12 35 1 36 13 36 1 37 13 37 1 38 13 38 1 39 14 39 1 40 14 40 1 41 15 41 1 42 15 42 1 43 16 43 1 44 18 44 1 45 18 45 1 46 18 46 1 47 19 47 1 48 19 48 1 49 20 49 1 50 20 50 1 51 20 51 1