@MOLECULE FDBD00077 53 54 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.1242 -18.1743 -0.1558 C.ar 1 UNK 0.0000 2 N 5.2205 -19.4693 0.2093 N.ar 1 UNK 0.0000 3 C1 3.8619 -17.6081 -0.3523 C.ar 1 UNK 0.0000 4 C2 4.1175 -20.2306 0.3578 C.ar 1 UNK 0.0000 5 N1 2.7579 -18.3666 -0.1972 N.ar 1 UNK 0.0000 6 C3 2.8571 -19.6682 0.1423 C.ar 1 UNK 0.0000 7 C4 6.3764 -17.3531 -0.3507 C.2 1 UNK 0.0000 8 N2 7.5715 -17.9397 -0.1436 N.am 1 UNK 0.0000 9 O 6.2674 -16.1861 -0.6923 O.2 1 UNK 0.0000 10 C5 8.7827 -17.1610 -0.3248 C.3 1 UNK 0.0000 11 C6 9.9760 -18.0607 -0.4870 C.2 1 UNK 0.0000 12 C7 8.9792 -16.2005 0.8670 C.3 1 UNK 0.0000 13 C8 10.2235 -15.3421 0.6573 C.ar 1 UNK 0.0000 14 C9 11.3615 -15.5663 1.4363 C.ar 1 UNK 0.0000 15 C10 10.2302 -14.3410 -0.3177 C.ar 1 UNK 0.0000 16 C11 12.5315 -14.8443 1.1881 C.ar 1 UNK 0.0000 17 C12 11.3927 -13.6016 -0.5484 C.ar 1 UNK 0.0000 18 C13 12.5494 -13.8687 0.1889 C.ar 1 UNK 0.0000 19 O1 9.8967 -19.2519 -0.2307 O.2 1 UNK 0.0000 20 N3 11.1002 -17.4622 -0.9235 N.am 1 UNK 0.0000 21 C14 12.3151 -18.2408 -1.0566 C.3 1 UNK 0.0000 22 C15 13.5131 -17.2854 -0.9068 C.3 1 UNK 0.0000 23 C16 14.6303 -17.9681 -0.0972 C.3 1 UNK 0.0000 24 C17 15.8886 -17.0813 -0.1186 C.3 1 UNK 0.0000 25 C18 14.1748 -18.1683 1.3604 C.3 1 UNK 0.0000 26 B 12.3468 -20.1591 0.2886 B 1 UNK 0.0000 27 O2 11.3095 -18.3775 2.2293 O.3 1 UNK 0.0000 28 O3 12.3238 -20.6960 0.6988 O.3 1 UNK 0.0000 29 H 3.7750 -16.6139 -0.6150 H 1 UNK 0.0000 30 H1 4.2039 -21.2226 0.6290 H 1 UNK 0.0000 31 H2 2.0072 -20.2450 0.2422 H 1 UNK 0.0000 32 H3 7.6225 -18.8848 0.1273 H 1 UNK 0.0000 33 H4 8.6847 -16.5806 -1.2183 H 1 UNK 0.0000 34 H5 9.0915 -16.7711 1.7652 H 1 UNK 0.0000 35 H6 8.1246 -15.5612 0.9427 H 1 UNK 0.0000 36 H7 11.3378 -16.2653 2.1951 H 1 UNK 0.0000 37 H8 9.3777 -14.1483 -0.8664 H 1 UNK 0.0000 38 H9 13.3816 -15.0317 1.7425 H 1 UNK 0.0000 39 H10 11.3973 -12.8577 -1.2637 H 1 UNK 0.0000 40 H11 13.4172 -13.3448 -0.0050 H 1 UNK 0.0000 41 H12 11.0969 -16.5042 -1.1502 H 1 UNK 0.0000 42 H13 12.3749 -18.6746 -2.0329 H 1 UNK 0.0000 43 H14 13.1979 -16.3983 -0.3982 H 1 UNK 0.0000 44 H15 13.8857 -17.0330 -1.8776 H 1 UNK 0.0000 45 H16 14.8490 -18.9207 -0.5326 H 1 UNK 0.0000 46 H17 15.6626 -16.1309 0.3180 H 1 UNK 0.0000 47 H18 16.2096 -16.9420 -1.1298 H 1 UNK 0.0000 48 H19 16.6681 -17.5547 0.4410 H 1 UNK 0.0000 49 H20 13.9552 -17.2175 1.7992 H 1 UNK 0.0000 50 H21 14.9551 -18.6457 1.9156 H 1 UNK 0.0000 51 H22 13.2977 -18.7809 1.3790 H 1 UNK 0.0000 52 H23 11.2462 -17.4871 1.8498 H 1 UNK 0.0000 53 H24 12.6509 -21.4777 0.2268 H 1 UNK 0.0000 @BOND 1 1 7 1 2 1 2 ar 3 1 3 ar 4 2 4 ar 5 3 5 ar 6 4 6 ar 7 6 5 ar 8 7 8 am 9 7 9 2 10 8 10 1 11 10 11 1 12 10 12 1 13 11 19 2 14 11 20 am 15 12 13 1 16 13 14 ar 17 13 15 ar 18 14 16 ar 19 15 17 ar 20 16 18 ar 21 18 17 ar 22 20 21 1 23 21 22 1 24 21 26 1 25 22 23 1 26 23 24 1 27 23 25 1 28 26 27 1 29 26 28 1 30 3 29 1 31 4 30 1 32 6 31 1 33 8 32 1 34 10 33 1 35 12 34 1 36 12 35 1 37 14 36 1 38 15 37 1 39 16 38 1 40 17 39 1 41 18 40 1 42 20 41 1 43 21 42 1 44 22 43 1 45 22 44 1 46 23 45 1 47 24 46 1 48 24 47 1 49 24 48 1 50 25 49 1 51 25 50 1 52 25 51 1 53 27 52 1 54 28 53 1