@MOLECULE FDBD01985 54 55 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5379 0.4100 1.0959 C.3 1 UNK -0.0613 2 C1 0.7431 -1.1035 1.0051 C.3 1 UNK -0.0305 3 C2 1.2900 -1.4556 -0.3543 C.ar 1 UNK -0.0474 4 C3 0.4241 -1.7377 -1.3947 C.ar 1 UNK -0.0551 5 C4 0.9230 -2.0612 -2.6416 C.ar 1 UNK -0.0197 6 C5 2.2940 -2.1025 -2.8496 C.ar 1 UNK 0.1205 7 C6 3.1607 -1.8186 -1.8041 C.ar 1 UNK -0.0197 8 C7 2.6568 -1.4906 -0.5604 C.ar 1 UNK -0.0551 9 O 2.7873 -2.4209 -4.0752 O.3 1 UNK -0.4920 10 C8 4.2091 -2.4440 -4.2164 C.3 1 UNK 0.0898 11 C9 4.5728 -2.8197 -5.6542 C.3 1 UNK -0.0158 12 C10 6.0951 -2.8445 -5.8054 C.3 1 UNK -0.0381 13 C11 6.6758 -3.9615 -4.9359 C.3 1 UNK -0.0530 14 C12 8.2039 -3.8946 -4.9730 C.3 1 UNK -0.0650 15 C13 6.4582 -3.0972 -7.2700 C.3 1 UNK -0.0477 16 C14 5.9996 -1.9114 -8.1211 C.3 1 UNK -0.0236 17 C15 6.2749 -2.2061 -9.5970 C.3 1 UNK 0.0881 18 C16 5.8355 -1.1629 -10.6263 C.3 1 UNK 0.0930 19 C17 5.3622 -1.6643 -11.9921 C.3 1 UNK -0.0334 20 C18 5.1496 0.1034 -10.1098 C.3 1 UNK -0.0244 21 C19 4.6820 0.9499 -11.2954 C.3 1 UNK -0.0626 22 O1 7.2072 -1.3665 -10.2810 O.3 1 UNK -0.3650 23 H 0.1496 0.6600 2.0611 H 1 UNK 0.0233 24 H1 -0.1537 0.7221 0.3414 H 1 UNK 0.0233 25 H2 1.4743 0.9064 0.9487 H 1 UNK 0.0233 26 H3 -0.1933 -1.5999 1.1523 H 1 UNK 0.0311 27 H4 1.4347 -1.4156 1.7596 H 1 UNK 0.0311 28 H5 -0.5957 -1.7066 -1.2396 H 1 UNK 0.0621 29 H6 0.2763 -2.2720 -3.4178 H 1 UNK 0.0654 30 H7 4.1810 -1.8524 -1.9554 H 1 UNK 0.0654 31 H8 3.3010 -1.2715 0.2155 H 1 UNK 0.0621 32 H9 4.6226 -3.1660 -3.5436 H 1 UNK 0.0696 33 H10 4.6058 -1.4766 -3.9893 H 1 UNK 0.0696 34 H11 4.1593 -2.0977 -6.3270 H 1 UNK 0.0301 35 H12 4.1760 -3.7871 -5.8813 H 1 UNK 0.0301 36 H13 6.4997 -1.9039 -5.4949 H 1 UNK 0.0302 37 H14 6.3511 -4.9100 -5.3099 H 1 UNK 0.0265 38 H15 6.3379 -3.8410 -3.9278 H 1 UNK 0.0265 39 H16 8.5418 -4.0151 -5.9811 H 1 UNK 0.0230 40 H17 8.6100 -4.6758 -4.3649 H 1 UNK 0.0230 41 H18 8.5286 -2.9461 -4.5990 H 1 UNK 0.0230 42 H19 5.9729 -3.9885 -7.6091 H 1 UNK 0.0269 43 H20 7.5182 -3.2120 -7.3600 H 1 UNK 0.0269 44 H21 6.5351 -1.0330 -7.8269 H 1 UNK 0.0291 45 H22 4.9508 -1.7544 -7.9784 H 1 UNK 0.0291 46 H23 6.1414 -3.2592 -9.4625 H 1 UNK 0.0625 47 H24 4.3218 -1.4447 -12.1117 H 1 UNK 0.0258 48 H25 5.5131 -2.7217 -12.0558 H 1 UNK 0.0258 49 H26 5.9206 -1.1772 -12.7640 H 1 UNK 0.0258 50 H27 5.8407 0.6677 -9.5192 H 1 UNK 0.0291 51 H28 4.3058 -0.1673 -9.5101 H 1 UNK 0.0291 52 H29 5.5258 1.2206 -11.8951 H 1 UNK 0.0231 53 H30 4.2023 1.8355 -10.9342 H 1 UNK 0.0231 54 H31 3.9909 0.3856 -11.8860 H 1 UNK 0.0231 @BOND 1 1 2 1 2 2 3 1 3 3 8 ar 4 3 4 ar 5 4 5 ar 6 5 6 ar 7 6 7 ar 8 6 9 1 9 7 8 ar 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 12 15 1 15 13 14 1 16 15 16 1 17 16 17 1 18 17 22 1 19 17 18 1 20 18 19 1 21 18 20 1 22 18 22 1 23 20 21 1 24 1 23 1 25 1 24 1 26 1 25 1 27 2 26 1 28 2 27 1 29 4 28 1 30 5 29 1 31 7 30 1 32 8 31 1 33 10 32 1 34 10 33 1 35 11 34 1 36 11 35 1 37 12 36 1 38 13 37 1 39 13 38 1 40 14 39 1 41 14 40 1 42 14 41 1 43 15 42 1 44 15 43 1 45 16 44 1 46 16 45 1 47 17 46 1 48 19 47 1 49 19 48 1 50 19 49 1 51 20 50 1 52 20 51 1 53 21 52 1 54 21 53 1 55 21 54 1