D0JX4I AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.862 -1.357 0.208 1.00 0.00 C HETATM 2 N UNL 1 4.002 -1.774 -0.602 1.00 0.00 N HETATM 3 C UNL 1 4.222 -2.908 -1.328 1.00 0.00 C HETATM 4 N UNL 1 3.583 -4.079 -1.044 1.00 0.00 N HETATM 5 C UNL 1 3.807 -5.300 -1.802 1.00 0.00 C HETATM 6 O UNL 1 5.057 -2.826 -2.236 1.00 0.00 O HETATM 7 C UNL 1 2.842 -0.151 1.181 1.00 0.00 C HETATM 8 C UNL 1 4.627 -6.259 -1.219 1.00 0.00 C HETATM 9 C UNL 1 4.072 -7.515 -0.864 1.00 0.00 C HETATM 10 C UNL 1 2.689 -7.629 -0.999 1.00 0.00 C HETATM 11 C UNL 1 2.267 -7.103 -2.209 1.00 0.00 C HETATM 12 C UNL 1 2.723 -5.822 -2.515 1.00 0.00 C HETATM 13 C UNL 1 1.459 0.214 1.429 1.00 0.00 C HETATM 14 C UNL 1 1.049 1.250 2.278 1.00 0.00 C HETATM 15 C UNL 1 2.025 1.985 2.871 1.00 0.00 C HETATM 16 N UNL 1 3.309 1.609 2.721 1.00 0.00 N HETATM 17 C UNL 1 3.776 0.588 1.933 1.00 0.00 C HETATM 18 N UNL 1 5.166 0.530 2.065 1.00 0.00 N HETATM 19 C UNL 1 1.731 3.251 3.665 1.00 0.00 C HETATM 20 F UNL 1 0.432 3.669 3.543 1.00 0.00 F HETATM 21 F UNL 1 1.949 3.131 5.006 1.00 0.00 F HETATM 22 F UNL 1 2.486 4.311 3.258 1.00 0.00 F HETATM 23 C UNL 1 6.100 0.007 1.075 1.00 0.00 C HETATM 24 C UNL 1 7.505 0.636 1.189 1.00 0.00 C HETATM 25 C UNL 1 8.070 0.618 2.613 1.00 0.00 C HETATM 26 C UNL 1 7.152 1.403 3.507 1.00 0.00 C HETATM 27 C UNL 1 5.656 1.155 3.312 1.00 0.00 C HETATM 28 C UNL 1 9.474 1.218 2.697 1.00 0.00 C HETATM 29 H UNL 1 1.538 -7.629 -2.812 1.00 0.00 H HETATM 30 C UNL 1 1.913 -7.081 0.272 1.00 0.00 C HETATM 31 N UNL 1 0.621 -6.427 -0.054 1.00 0.00 N HETATM 32 S UNL 1 0.044 -5.252 0.962 1.00 0.00 S HETATM 33 O UNL 1 1.140 -4.605 1.643 1.00 0.00 O HETATM 34 O UNL 1 -0.952 -4.496 0.241 1.00 0.00 O HETATM 35 N UNL 1 -0.736 -6.214 2.048 1.00 0.00 N HETATM 36 H UNL 1 2.147 -1.064 -0.583 1.00 0.00 H HETATM 37 H UNL 1 2.413 -2.230 0.690 1.00 0.00 H HETATM 38 H UNL 1 4.440 -1.005 -1.090 1.00 0.00 H HETATM 39 H UNL 1 2.637 -3.954 -0.716 1.00 0.00 H HETATM 40 H UNL 1 5.698 -6.098 -1.114 1.00 0.00 H HETATM 41 H UNL 1 4.668 -8.322 -0.489 1.00 0.00 H HETATM 42 H UNL 1 2.323 -5.288 -3.373 1.00 0.00 H HETATM 43 H UNL 1 0.664 -0.340 0.932 1.00 0.00 H HETATM 44 H UNL 1 -0.005 1.481 2.406 1.00 0.00 H HETATM 45 H UNL 1 5.727 0.234 0.074 1.00 0.00 H HETATM 46 H UNL 1 6.174 -1.073 1.200 1.00 0.00 H HETATM 47 H UNL 1 7.470 1.668 0.829 1.00 0.00 H HETATM 48 H UNL 1 8.178 0.091 0.521 1.00 0.00 H HETATM 49 H UNL 1 8.117 -0.427 2.962 1.00 0.00 H HETATM 50 H UNL 1 7.343 2.479 3.361 1.00 0.00 H HETATM 51 H UNL 1 7.415 1.229 4.561 1.00 0.00 H HETATM 52 H UNL 1 5.301 0.578 4.178 1.00 0.00 H HETATM 53 H UNL 1 5.251 2.181 3.438 1.00 0.00 H HETATM 54 H UNL 1 9.490 2.260 2.343 1.00 0.00 H HETATM 55 H UNL 1 10.202 0.654 2.113 1.00 0.00 H HETATM 56 H UNL 1 9.827 1.236 3.740 1.00 0.00 H HETATM 57 H UNL 1 2.570 -6.346 0.756 1.00 0.00 H HETATM 58 H UNL 1 1.751 -7.897 0.985 1.00 0.00 H HETATM 59 H UNL 1 0.574 -6.074 -1.002 1.00 0.00 H HETATM 60 H UNL 1 -0.079 -6.610 2.732 1.00 0.00 H HETATM 61 H UNL 1 -1.491 -5.707 2.503 1.00 0.00 H CONECT 1 2 7 36 37 CONECT 2 1 3 38 CONECT 3 2 4 6 CONECT 4 3 5 39 CONECT 5 4 8 12 CONECT 6 3 CONECT 7 1 13 17 CONECT 8 5 9 40 CONECT 9 8 10 41 CONECT 10 9 11 30 CONECT 11 10 12 29 CONECT 12 11 5 42 CONECT 13 7 14 43 CONECT 14 13 15 44 CONECT 15 14 16 19 CONECT 16 15 17 CONECT 17 16 7 18 CONECT 18 17 23 27 CONECT 19 15 20 21 22 CONECT 20 19 CONECT 21 19 CONECT 22 19 CONECT 23 18 24 45 46 CONECT 24 23 25 47 48 CONECT 25 24 26 28 49 CONECT 26 25 27 50 51 CONECT 27 26 18 52 53 CONECT 28 25 54 55 56 CONECT 29 11 CONECT 30 10 31 57 58 CONECT 31 30 32 59 CONECT 32 31 33 34 35 CONECT 33 32 CONECT 34 32 CONECT 35 32 60 61 CONECT 36 1 CONECT 37 1 CONECT 38 2 CONECT 39 4 CONECT 40 8 CONECT 41 9 CONECT 42 12 CONECT 43 13 CONECT 44 14 CONECT 45 23 CONECT 46 23 CONECT 47 24 CONECT 48 24 CONECT 49 25 CONECT 50 26 CONECT 51 26 CONECT 52 27 CONECT 53 27 CONECT 54 28 CONECT 55 28 CONECT 56 28 CONECT 57 30 CONECT 58 30 CONECT 59 31 CONECT 60 35 CONECT 61 35 MASTER 0 0 0 0 0 0 0 0 61 0 61 0 END M END $$$$