@MOLECULE FDBD01858 57 58 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.1524 1.8395 0.3786 C.3 1 UNK -0.0618 2 C1 -0.1164 0.3432 0.2068 C.3 1 UNK -0.0376 3 C2 0.6890 -0.4312 1.2181 C.2 1 UNK -0.0879 4 C3 0.0893 -1.2565 2.0399 C.2 1 UNK -0.0835 5 C4 -1.3782 -1.5547 1.8707 C.3 1 UNK -0.0061 6 C5 -1.5761 -3.0424 1.7351 C.2 1 UNK 0.0013 7 C6 -1.8809 -3.8421 2.7470 C.2 1 UNK -0.0255 8 C7 -2.0743 -3.3892 4.1713 C.3 1 UNK -0.0397 9 C8 -2.0079 -5.2685 2.2740 C.3 1 UNK 0.1315 10 C9 -1.7252 -5.2285 0.7618 C.3 1 UNK 0.0512 11 C10 -1.4600 -3.7662 0.4739 C.2 1 UNK 0.1634 12 O -1.1922 -3.2851 -0.6072 O.2 1 UNK -0.2922 13 O1 -3.3505 -5.7623 2.5226 O.3 1 UNK -0.4562 14 C11 -3.4827 -7.0778 2.7544 C.2 1 UNK 0.3119 15 O2 -2.5089 -7.7930 2.7498 O.2 1 UNK -0.2505 16 C12 -4.8459 -7.6627 3.0205 C.3 1 UNK 0.0688 17 C13 -5.0029 -9.1786 2.8848 C.3 1 UNK -0.0028 18 C14 -5.9514 -9.8674 3.8319 C.2 1 UNK -0.0699 19 C15 -5.9998 -11.1967 3.8755 C.2 1 UNK 0.0299 20 C16 -5.1060 -12.0130 2.9778 C.3 1 UNK -0.0332 21 C17 -6.9247 -11.8684 4.7989 C.2 1 UNK 0.3343 22 O3 -7.6455 -11.2100 5.5229 O.2 1 UNK -0.2453 23 O4 -6.9737 -13.2147 4.8431 O.3 1 UNK -0.4647 24 C18 -7.9107 -13.8099 5.7790 C.3 1 UNK 0.0820 25 C19 -5.6078 -8.2486 1.8301 C.3 1 UNK -0.0144 26 C20 -7.1295 -8.0897 1.8178 C.3 1 UNK -0.0585 27 C21 -4.9275 -8.1963 0.4607 C.3 1 UNK -0.0585 28 H -0.4194 2.3893 -0.3394 H 1 UNK 0.0233 29 H1 1.1940 2.0342 0.2297 H 1 UNK 0.0233 30 H2 -0.1293 2.1415 1.3657 H 1 UNK 0.0233 31 H3 0.1653 0.0412 -0.7803 H 1 UNK 0.0305 32 H4 -1.1580 0.1485 0.3557 H 1 UNK 0.0305 33 H5 1.7130 -0.3113 1.2632 H 1 UNK 0.0569 34 H6 0.6218 -1.7025 2.8032 H 1 UNK 0.0572 35 H7 -1.7427 -1.0648 0.9920 H 1 UNK 0.0357 36 H8 -1.9151 -1.1999 2.7255 H 1 UNK 0.0357 37 H9 -1.9269 -2.3312 4.2323 H 1 UNK 0.0276 38 H10 -1.3665 -3.8848 4.8024 H 1 UNK 0.0276 39 H11 -3.0668 -3.6300 4.4905 H 1 UNK 0.0276 40 H12 -1.3311 -5.9195 2.7870 H 1 UNK 0.0786 41 H13 -2.5716 -5.5772 0.2079 H 1 UNK 0.0385 42 H14 -0.9065 -5.8573 0.4805 H 1 UNK 0.0385 43 H15 -5.0676 -6.9439 3.7814 H 1 UNK 0.0425 44 H16 -4.3306 -10.0108 2.8643 H 1 UNK 0.0357 45 H17 -6.5634 -9.3083 4.4467 H 1 UNK 0.0580 46 H18 -4.5067 -11.3582 2.3803 H 1 UNK 0.0280 47 H19 -5.7064 -12.6279 2.3404 H 1 UNK 0.0280 48 H20 -4.4703 -12.6324 3.5753 H 1 UNK 0.0280 49 H21 -7.8503 -14.8763 5.7147 H 1 UNK 0.0661 50 H22 -8.9043 -13.4938 5.5386 H 1 UNK 0.0661 51 H23 -7.6681 -13.4983 6.7734 H 1 UNK 0.0661 52 H24 -7.5016 -8.1410 2.8197 H 1 UNK 0.0235 53 H25 -7.5653 -8.8740 1.2349 H 1 UNK 0.0235 54 H26 -7.3858 -7.1429 1.3902 H 1 UNK 0.0235 55 H27 -3.8713 -8.3167 0.5823 H 1 UNK 0.0235 56 H28 -5.1280 -7.2522 -0.0013 H 1 UNK 0.0235 57 H29 -5.3075 -8.9833 -0.1566 H 1 UNK 0.0235 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 1 6 6 11 1 7 6 7 2 8 7 8 1 9 7 9 1 10 9 10 1 11 9 13 1 12 10 11 1 13 11 12 2 14 13 14 1 15 14 15 2 16 14 16 1 17 16 25 1 18 16 17 1 19 17 18 1 20 17 25 1 21 18 19 2 22 19 20 1 23 19 21 1 24 21 22 2 25 21 23 1 26 23 24 1 27 25 26 1 28 25 27 1 29 1 28 1 30 1 29 1 31 1 30 1 32 2 31 1 33 2 32 1 34 3 33 1 35 4 34 1 36 5 35 1 37 5 36 1 38 8 37 1 39 8 38 1 40 8 39 1 41 9 40 1 42 10 41 1 43 10 42 1 44 16 43 1 45 17 44 1 46 18 45 1 47 20 46 1 48 20 47 1 49 20 48 1 50 24 49 1 51 24 50 1 52 24 51 1 53 26 52 1 54 26 53 1 55 26 54 1 56 27 55 1 57 27 56 1 58 27 57 1