@MOLECULE FDBD02257 53 55 0 0 0 SMALL USER_CHARGES @ATOM 1 C -5.2330 -1.4493 2.2378 C.3 1 UNK -0.0440 2 C1 -4.1842 -2.5226 2.0995 C.2 1 UNK -0.0793 3 C2 -2.9142 -2.2014 2.0996 C.2 1 UNK -0.0809 4 C3 -2.5020 -0.7585 2.2380 C.3 1 UNK -0.0033 5 C4 -1.0133 -0.4648 2.4341 C.3 1 UNK 0.0689 6 C5 -0.0715 -1.6405 2.4741 C.2 1 UNK 0.3129 7 O 0.7341 -1.7997 1.5878 O.2 1 UNK -0.2504 8 O1 -0.1275 -2.5109 3.4944 O.3 1 UNK -0.4412 9 C6 0.8098 -3.6196 3.4674 C.3 1 UNK 0.2129 10 C7 2.0493 -3.2311 4.1599 C.1 1 UNK 0.1123 11 N 3.0059 -2.9314 4.6943 N.1 1 UNK -0.1923 12 C8 0.1993 -4.8105 4.1603 C.ar 1 UNK 0.0103 13 C9 -0.6310 -4.6248 5.2505 C.ar 1 UNK -0.0538 14 C10 -1.1930 -5.7151 5.8882 C.ar 1 UNK -0.0579 15 C11 -0.9259 -6.9936 5.4377 C.ar 1 UNK -0.0193 16 C12 -0.0933 -7.1827 4.3442 C.ar 1 UNK 0.1288 17 C13 0.4650 -6.0862 3.7024 C.ar 1 UNK -0.0116 18 O2 0.1710 -8.4391 3.8992 O.3 1 UNK -0.4560 19 C14 1.0771 -8.5834 2.8968 C.ar 1 UNK 0.1284 20 C15 2.4350 -8.5031 3.1705 C.ar 1 UNK -0.0193 21 C16 3.3540 -8.6502 2.1497 C.ar 1 UNK -0.0583 22 C17 2.9217 -8.8767 0.8560 C.ar 1 UNK -0.0615 23 C18 1.5691 -8.9567 0.5804 C.ar 1 UNK -0.0583 24 C19 0.6461 -8.8170 1.5987 C.ar 1 UNK -0.0193 25 C20 -1.6868 -0.1443 1.0982 C.3 1 UNK -0.0144 26 C21 -1.3525 -1.0420 -0.0948 C.3 1 UNK -0.0585 27 C22 -1.9338 1.3289 0.7671 C.3 1 UNK -0.0585 28 C23 -4.5965 -3.9655 1.9612 C.3 1 UNK -0.0440 29 H -4.7573 -0.4948 2.3240 H 1 UNK 0.0274 30 H1 -5.8205 -1.6353 3.1125 H 1 UNK 0.0274 31 H2 -5.8659 -1.4558 1.3751 H 1 UNK 0.0274 32 H3 -2.1960 -2.9364 2.0049 H 1 UNK 0.0575 33 H4 -3.4006 -0.4930 2.7547 H 1 UNK 0.0356 34 H5 -0.4385 0.0914 3.1449 H 1 UNK 0.0425 35 H6 1.0330 -3.8734 2.4522 H 1 UNK 0.0948 36 H7 -0.8315 -3.6706 5.5886 H 1 UNK 0.0622 37 H8 -1.8125 -5.5739 6.7014 H 1 UNK 0.0619 38 H9 -1.3454 -7.8072 5.9142 H 1 UNK 0.0654 39 H10 1.0781 -6.2239 2.8838 H 1 UNK 0.0658 40 H11 2.7581 -8.3336 4.1358 H 1 UNK 0.0654 41 H12 4.3641 -8.5910 2.3528 H 1 UNK 0.0619 42 H13 3.6098 -8.9862 0.0947 H 1 UNK 0.0618 43 H14 1.2488 -9.1209 -0.3868 H 1 UNK 0.0619 44 H15 -0.3630 -8.8863 1.3942 H 1 UNK 0.0654 45 H16 -1.1995 -2.0449 0.2453 H 1 UNK 0.0235 46 H17 -0.4621 -0.6868 -0.5700 H 1 UNK 0.0235 47 H18 -2.1622 -1.0222 -0.7940 H 1 UNK 0.0235 48 H19 -2.1578 1.8639 1.6663 H 1 UNK 0.0235 49 H20 -2.7582 1.4089 0.0897 H 1 UNK 0.0235 50 H21 -1.0581 1.7443 0.3137 H 1 UNK 0.0235 51 H22 -5.6640 -4.0349 1.9818 H 1 UNK 0.0274 52 H23 -4.1865 -4.5328 2.7705 H 1 UNK 0.0274 53 H24 -4.2317 -4.3533 1.0331 H 1 UNK 0.0274 @BOND 1 1 2 1 2 2 3 2 3 2 28 1 4 3 4 1 5 4 25 1 6 4 5 1 7 5 6 1 8 5 25 1 9 6 7 2 10 6 8 1 11 8 9 1 12 9 10 1 13 9 12 1 14 10 11 3 15 12 17 ar 16 12 13 ar 17 13 14 ar 18 14 15 ar 19 15 16 ar 20 16 17 ar 21 16 18 1 22 18 19 1 23 19 24 ar 24 19 20 ar 25 20 21 ar 26 21 22 ar 27 22 23 ar 28 23 24 ar 29 25 26 1 30 25 27 1 31 1 29 1 32 1 30 1 33 1 31 1 34 3 32 1 35 4 33 1 36 5 34 1 37 9 35 1 38 13 36 1 39 14 37 1 40 15 38 1 41 17 39 1 42 20 40 1 43 21 41 1 44 22 42 1 45 23 43 1 46 24 44 1 47 26 45 1 48 26 46 1 49 26 47 1 50 27 48 1 51 27 49 1 52 27 50 1 53 28 51 1 54 28 52 1 55 28 53 1