@MOLECULE FDBD03266 57 58 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.3637 1.5515 -0.0236 C.3 1 UNK -0.0605 2 C1 0.3413 0.0232 -0.0909 C.3 1 UNK -0.0153 3 C2 0.8803 -0.5530 1.2199 C.3 1 UNK -0.0321 4 N 0.8588 -2.0205 1.1552 N.4 1 UNK 0.2369 5 C3 1.8000 -2.5166 0.1423 C.3 1 UNK -0.0347 6 C4 3.1973 -1.9639 0.4303 C.3 1 UNK -0.0245 7 C5 1.1423 -2.6096 2.4707 C.3 1 UNK -0.0027 8 C6 0.7349 -4.0844 2.4676 C.3 1 UNK 0.1247 9 C7 0.9159 -4.7053 3.8752 C.3 1 UNK 0.0822 10 O -0.0525 -5.7816 3.8488 O.3 1 UNK -0.3458 11 C8 -1.1583 -5.2618 3.0922 C.3 1 UNK 0.1708 12 C9 -1.7730 -6.3837 2.2540 C.3 1 UNK 0.0017 13 C10 -2.9562 -5.8341 1.4546 C.3 1 UNK -0.0449 14 C11 -4.0066 -5.2758 2.4167 C.3 1 UNK -0.0358 15 C12 -3.3895 -4.1484 3.2469 C.3 1 UNK -0.0449 16 C13 -2.2074 -4.6949 4.0501 C.3 1 UNK 0.0017 17 C14 -5.1918 -4.7307 1.6175 C.3 1 UNK -0.0349 18 C15 -5.8088 -5.8580 0.7872 C.3 1 UNK -0.0598 19 C16 -6.2422 -4.1723 2.5797 C.3 1 UNK -0.0598 20 C17 -4.7098 -3.6165 0.6862 C.3 1 UNK -0.0598 21 O1 -0.6809 -4.2214 2.2299 O.3 1 UNK -0.3379 22 H -0.0133 1.9544 -0.9404 H 1 UNK 0.0232 23 H1 1.3684 1.8872 0.1271 H 1 UNK 0.0232 24 H2 -0.2484 1.8817 0.7895 H 1 UNK 0.0232 25 H3 0.9534 -0.3070 -0.9040 H 1 UNK 0.0314 26 H4 -0.6635 -0.3125 -0.2416 H 1 UNK 0.0314 27 H5 0.2682 -0.2228 2.0330 H 1 UNK 0.0814 28 H6 1.8850 -0.2173 1.3706 H 1 UNK 0.0814 29 H7 -0.0798 -2.3084 0.8786 H 1 UNK 0.2034 30 H8 1.4823 -2.1953 -0.8276 H 1 UNK 0.0812 31 H9 1.8261 -3.5858 0.1730 H 1 UNK 0.0812 32 H10 3.1712 -0.8947 0.3996 H 1 UNK 0.0281 33 H11 3.8828 -2.3253 -0.3075 H 1 UNK 0.0281 34 H12 3.5150 -2.2852 1.4002 H 1 UNK 0.0281 35 H13 0.5874 -2.0879 3.2222 H 1 UNK 0.0841 36 H14 2.1886 -2.5291 2.6796 H 1 UNK 0.0841 37 H15 1.3365 -4.5548 1.7181 H 1 UNK 0.0674 38 H16 0.6912 -3.9974 4.6455 H 1 UNK 0.0589 39 H17 1.9154 -5.0257 4.0831 H 1 UNK 0.0589 40 H18 -2.1119 -7.1666 2.8998 H 1 UNK 0.0317 41 H19 -1.0366 -6.7701 1.5807 H 1 UNK 0.0317 42 H20 -3.3886 -6.6202 0.8716 H 1 UNK 0.0270 43 H21 -2.6166 -5.0541 0.8057 H 1 UNK 0.0270 44 H22 -4.3438 -6.0550 3.0679 H 1 UNK 0.0306 45 H23 -4.1250 -3.7554 3.9173 H 1 UNK 0.0270 46 H24 -3.0491 -3.3709 2.5954 H 1 UNK 0.0270 47 H25 -1.7734 -3.9057 4.6277 H 1 UNK 0.0317 48 H26 -2.5486 -5.4698 4.7043 H 1 UNK 0.0317 49 H27 -6.1459 -6.6372 1.4384 H 1 UNK 0.0235 50 H28 -5.0743 -6.2484 0.1142 H 1 UNK 0.0235 51 H29 -6.6377 -5.4767 0.2283 H 1 UNK 0.0235 52 H30 -6.5793 -4.9514 3.2310 H 1 UNK 0.0235 53 H31 -7.0711 -3.7911 2.0207 H 1 UNK 0.0235 54 H32 -5.8107 -3.3838 3.1603 H 1 UNK 0.0235 55 H33 -3.9752 -4.0070 0.0133 H 1 UNK 0.0235 56 H34 -4.2784 -2.8280 1.2668 H 1 UNK 0.0235 57 H35 -5.5388 -3.2353 0.1272 H 1 UNK 0.0235 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 7 1 6 5 6 1 7 7 8 1 8 8 21 1 9 8 9 1 10 9 10 1 11 10 11 1 12 11 16 1 13 11 12 1 14 11 21 1 15 12 13 1 16 13 14 1 17 14 15 1 18 14 17 1 19 15 16 1 20 17 18 1 21 17 19 1 22 17 20 1 23 1 22 1 24 1 23 1 25 1 24 1 26 2 25 1 27 2 26 1 28 3 27 1 29 3 28 1 30 4 29 1 31 5 30 1 32 5 31 1 33 6 32 1 34 6 33 1 35 6 34 1 36 7 35 1 37 7 36 1 38 8 37 1 39 9 38 1 40 9 39 1 41 12 40 1 42 12 41 1 43 13 42 1 44 13 43 1 45 14 44 1 46 15 45 1 47 15 46 1 48 16 47 1 49 16 48 1 50 18 49 1 51 18 50 1 52 18 51 1 53 19 52 1 54 19 53 1 55 19 54 1 56 20 55 1 57 20 56 1 58 20 57 1