@MOLECULE FDBD02966 51 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.8464 -0.7636 1.0451 C.3 1 UNK -0.0605 2 C1 0.0869 -0.2819 -0.1927 C.3 1 UNK -0.0196 3 C2 0.6561 -0.9648 -1.4379 C.3 1 UNK -0.0605 4 C3 -1.3953 -0.6337 -0.0506 C.3 1 UNK 0.1048 5 H -1.7765 -0.2290 0.8870 H 1 UNK 0.0598 6 C4 -2.1648 -0.0416 -1.2031 C.2 1 UNK 0.2342 7 O -2.4905 -0.7418 -2.1382 O.2 1 UNK -0.2738 8 N -2.4911 1.2660 -1.1946 N.am 1 UNK -0.3072 9 C5 -3.3354 1.8173 -2.2574 C.3 1 UNK 0.0456 10 C6 -4.8079 1.5982 -1.9043 C.3 1 UNK -0.0425 11 C7 -3.0667 3.2935 -2.3976 C.ar 1 UNK -0.0275 12 C8 -2.8709 4.0704 -1.2711 C.ar 1 UNK -0.0566 13 C9 -2.6245 5.4245 -1.3998 C.ar 1 UNK -0.0585 14 C10 -2.5733 6.0016 -2.6549 C.ar 1 UNK -0.0504 15 C11 -2.3051 7.4779 -2.7950 C.3 1 UNK -0.0397 16 C12 -2.7677 5.2244 -3.7814 C.ar 1 UNK -0.0585 17 C13 -3.0104 3.8696 -3.6529 C.ar 1 UNK -0.0566 18 N1 -1.5540 -2.0901 -0.0542 N.am 1 UNK -0.2696 19 C14 -1.4119 -2.7863 1.0910 C.2 1 UNK 0.4011 20 O1 -1.1520 -2.2061 2.1265 O.2 1 UNK -0.2265 21 O2 -1.5578 -4.1248 1.0876 O.3 1 UNK -0.4477 22 C15 -1.3907 -4.8093 2.3572 C.3 1 UNK 0.0991 23 C16 -2.7411 -4.8967 3.0710 C.3 1 UNK -0.0279 24 C17 -0.8526 -6.2199 2.1091 C.3 1 UNK -0.0279 25 H1 1.8779 -0.4146 0.9972 H 1 UNK 0.0233 26 H2 0.3697 -0.3663 1.9413 H 1 UNK 0.0233 27 H3 0.8326 -1.8530 1.0788 H 1 UNK 0.0233 28 H4 0.1964 0.7983 -0.2886 H 1 UNK 0.0318 29 H5 0.5466 -2.0450 -1.3420 H 1 UNK 0.0233 30 H6 0.1150 -0.6216 -2.3198 H 1 UNK 0.0233 31 H7 1.7120 -0.7141 -1.5392 H 1 UNK 0.0233 32 H8 -2.1669 1.8422 -0.4847 H 1 UNK 0.1493 33 H9 -3.1088 1.3158 -3.1983 H 1 UNK 0.0545 34 H10 -5.4360 2.0083 -2.6950 H 1 UNK 0.0251 35 H11 -5.0022 0.5305 -1.8029 H 1 UNK 0.0251 36 H12 -5.0344 2.0997 -0.9634 H 1 UNK 0.0251 37 H13 -2.9109 3.6196 -0.2906 H 1 UNK 0.0621 38 H14 -2.4722 6.0317 -0.5196 H 1 UNK 0.0620 39 H15 -1.2311 7.6462 -2.8740 H 1 UNK 0.0278 40 H16 -2.7986 7.8533 -3.6915 H 1 UNK 0.0278 41 H17 -2.6917 8.0020 -1.9210 H 1 UNK 0.0278 42 H18 -2.7274 5.6752 -4.7620 H 1 UNK 0.0620 43 H19 -3.1623 3.2624 -4.5330 H 1 UNK 0.0621 44 H20 -1.7615 -2.5532 -0.8809 H 1 UNK 0.1528 45 H21 -0.6865 -4.2558 2.9784 H 1 UNK 0.0729 46 H22 -2.6157 -5.4106 4.0241 H 1 UNK 0.0265 47 H23 -3.1244 -3.8918 3.2478 H 1 UNK 0.0265 48 H24 -3.4453 -5.4502 2.4498 H 1 UNK 0.0265 49 H25 0.1094 -6.1576 1.6005 H 1 UNK 0.0265 50 H26 -0.7272 -6.7337 3.0621 H 1 UNK 0.0265 51 H27 -1.5568 -6.7733 1.4878 H 1 UNK 0.0265 @BOND 1 1 2 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 3 1 6 2 4 1 7 2 28 1 8 3 29 1 9 3 30 1 10 3 31 1 11 4 5 1 12 4 6 1 13 4 18 1 14 6 7 2 15 6 8 am 16 8 9 1 17 8 32 1 18 9 10 1 19 9 11 1 20 9 33 1 21 10 34 1 22 10 35 1 23 10 36 1 24 11 17 ar 25 11 12 ar 26 12 13 ar 27 12 37 1 28 13 14 ar 29 13 38 1 30 14 15 1 31 14 16 ar 32 15 39 1 33 15 40 1 34 15 41 1 35 16 17 ar 36 16 42 1 37 17 43 1 38 18 19 am 39 18 44 1 40 19 20 2 41 19 21 1 42 21 22 1 43 22 23 1 44 22 24 1 45 22 45 1 46 23 46 1 47 23 47 1 48 23 48 1 49 24 49 1 50 24 50 1 51 24 51 1