@MOLECULE FDBD00097 59 63 0 0 0 SMALL USER_CHARGES @ATOM 1 O 6.7312 1.1601 0.5506 O.3 1 UNK -0.4585 2 O1 8.2135 1.1460 -1.1547 O.2 1 UNK -0.2468 3 O2 8.7865 0.0736 2.0026 O.3 1 UNK -0.3698 4 N 3.5250 0.7462 0.0645 N.4 1 UNK 0.2477 5 C 3.4830 2.1376 0.5490 C.3 1 UNK -0.0152 6 C1 3.9164 0.9009 -1.3487 C.3 1 UNK -0.0152 7 C2 2.7555 2.8964 -0.5786 C.3 1 UNK -0.0044 8 C3 3.0374 2.0661 -1.8440 C.3 1 UNK -0.0044 9 C4 4.4007 -0.1506 0.8411 C.3 1 UNK -0.0294 10 C5 2.1809 0.1444 0.1398 C.3 1 UNK -0.0294 11 C6 4.8978 2.7508 0.6587 C.3 1 UNK 0.0278 12 C7 5.3835 1.3652 -1.4925 C.3 1 UNK 0.0278 13 C8 5.9594 2.0746 -0.2409 C.3 1 UNK 0.1134 14 C9 2.3722 -1.3788 0.2473 C.3 1 UNK -0.0076 15 C10 3.8177 -1.5701 0.7318 C.3 1 UNK -0.0076 16 C11 7.8277 0.7199 -0.0765 C.2 1 UNK 0.3488 17 C12 8.5587 -0.3699 0.6596 C.3 1 UNK 0.2134 18 C13 9.8954 -0.6928 -0.0139 C.ar 1 UNK -0.0008 19 C14 7.6746 -1.6195 0.6726 C.ar 1 UNK -0.0008 20 C15 11.1006 -0.3456 0.6036 C.ar 1 UNK -0.0550 21 C16 7.5083 -2.3577 1.8479 C.ar 1 UNK -0.0550 22 C17 9.9187 -1.3388 -1.2536 C.ar 1 UNK -0.0550 23 C18 7.0232 -2.0283 -0.4952 C.ar 1 UNK -0.0550 24 C19 12.3194 -0.6398 -0.0128 C.ar 1 UNK -0.0614 25 C20 6.6986 -3.4962 1.8557 C.ar 1 UNK -0.0614 26 C21 11.1357 -1.6344 -1.8729 C.ar 1 UNK -0.0614 27 C22 6.2236 -3.1738 -0.4939 C.ar 1 UNK -0.0614 28 C23 12.3374 -1.2844 -1.2522 C.ar 1 UNK -0.0617 29 C24 6.0599 -3.9079 0.6834 C.ar 1 UNK -0.0617 30 H 9.3468 0.8653 1.9910 H 1 UNK 0.2117 31 H1 3.0230 2.1913 1.5136 H 1 UNK 0.0853 32 H2 3.8062 -0.0230 -1.8770 H 1 UNK 0.0853 33 H3 3.1461 3.8872 -0.6813 H 1 UNK 0.0322 34 H4 1.7083 3.0047 -0.3872 H 1 UNK 0.0322 35 H5 2.1257 1.6994 -2.2674 H 1 UNK 0.0322 36 H6 3.5143 2.6399 -2.6110 H 1 UNK 0.0322 37 H7 4.4237 0.1575 1.8655 H 1 UNK 0.0815 38 H8 5.4012 -0.1227 0.4628 H 1 UNK 0.0815 39 H9 1.6222 0.3828 -0.7410 H 1 UNK 0.0815 40 H10 1.6419 0.5209 0.9839 H 1 UNK 0.0815 41 H11 5.2200 2.6690 1.6758 H 1 UNK 0.0356 42 H12 4.8175 3.7648 0.3266 H 1 UNK 0.0356 43 H13 5.4395 2.0448 -2.3171 H 1 UNK 0.0356 44 H14 5.9692 0.4816 -1.6375 H 1 UNK 0.0356 45 H15 6.5777 2.8573 -0.6280 H 1 UNK 0.0738 46 H16 2.2317 -1.8429 -0.7065 H 1 UNK 0.0319 47 H17 1.6645 -1.8246 0.9146 H 1 UNK 0.0319 48 H18 3.8322 -2.0556 1.6852 H 1 UNK 0.0319 49 H19 4.3845 -2.1837 0.0631 H 1 UNK 0.0319 50 H20 11.0900 0.1303 1.5192 H 1 UNK 0.0621 51 H21 7.9855 -2.0605 2.7133 H 1 UNK 0.0621 52 H22 9.0322 -1.5987 -1.7137 H 1 UNK 0.0621 53 H23 7.1338 -1.4807 -1.3629 H 1 UNK 0.0621 54 H24 13.2062 -0.3810 0.4473 H 1 UNK 0.0618 55 H25 6.5722 -4.0333 2.7278 H 1 UNK 0.0618 56 H26 11.1470 -2.1110 -2.7882 H 1 UNK 0.0618 57 H27 5.7544 -3.4774 -1.3615 H 1 UNK 0.0618 58 H28 13.2371 -1.5017 -1.7086 H 1 UNK 0.0618 59 H29 5.4679 -4.7532 0.6871 H 1 UNK 0.0618 @BOND 1 1 13 1 2 16 1 1 3 16 2 2 4 17 3 1 5 5 4 1 6 6 4 1 7 4 9 1 8 4 10 1 9 5 7 1 10 11 5 1 11 6 8 1 12 12 6 1 13 8 7 1 14 9 15 1 15 10 14 1 16 13 11 1 17 13 12 1 18 14 15 1 19 16 17 1 20 17 18 1 21 17 19 1 22 18 20 ar 23 18 22 ar 24 19 21 ar 25 19 23 ar 26 20 24 ar 27 21 25 ar 28 22 26 ar 29 23 27 ar 30 24 28 ar 31 25 29 ar 32 26 28 ar 33 27 29 ar 34 3 30 1 35 5 31 1 36 6 32 1 37 7 33 1 38 7 34 1 39 8 35 1 40 8 36 1 41 9 37 1 42 9 38 1 43 10 39 1 44 10 40 1 45 11 41 1 46 11 42 1 47 12 43 1 48 12 44 1 49 13 45 1 50 14 46 1 51 14 47 1 52 15 48 1 53 15 49 1 54 20 50 1 55 21 51 1 56 22 52 1 57 23 53 1 58 24 54 1 59 25 55 1 60 26 56 1 61 27 57 1 62 28 58 1 63 29 59 1