D0KK6L AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 O UNL 1 4.942 -2.112 1.322 1.00 0.00 O HETATM 2 C UNL 1 4.893 -1.217 0.285 1.00 0.00 C HETATM 3 C UNL 1 3.471 -0.860 -0.101 1.00 0.00 C HETATM 4 N UNL 1 2.480 -1.884 0.320 1.00 0.00 N HETATM 5 C UNL 1 1.142 -1.297 0.621 1.00 0.00 C HETATM 6 C UNL 1 0.335 -0.978 -0.657 1.00 0.00 C HETATM 7 C UNL 1 -1.105 -0.525 -0.374 1.00 0.00 C HETATM 8 C UNL 1 -1.194 0.753 0.468 1.00 0.00 C HETATM 9 C UNL 1 -2.627 1.230 0.727 1.00 0.00 C HETATM 10 C UNL 1 -3.461 0.202 1.479 1.00 0.00 C HETATM 11 N UNL 1 -4.763 0.779 1.806 1.00 0.00 N HETATM 12 S UNL 1 -5.840 -0.189 2.642 1.00 0.00 S HETATM 13 O UNL 1 5.882 -0.723 -0.210 1.00 0.00 O HETATM 14 C UNL 1 2.435 -3.188 -0.184 1.00 0.00 C HETATM 15 C UNL 1 -5.382 0.073 4.331 1.00 0.00 C HETATM 16 C UNL 1 -4.400 -0.795 4.866 1.00 0.00 C HETATM 17 C UNL 1 -4.495 -1.184 6.189 1.00 0.00 C HETATM 18 C UNL 1 -5.648 -0.851 6.879 1.00 0.00 C HETATM 19 C UNL 1 -6.417 0.244 6.482 1.00 0.00 C HETATM 20 C UNL 1 -6.264 0.714 5.179 1.00 0.00 C HETATM 21 O UNL 1 -7.180 0.308 2.420 1.00 0.00 O HETATM 22 O UNL 1 -5.537 -1.574 2.362 1.00 0.00 O HETATM 23 N UNL 1 1.701 -4.116 0.387 1.00 0.00 N HETATM 24 S UNL 1 1.591 -5.510 -0.595 1.00 0.00 S HETATM 25 C UNL 1 2.507 -4.776 -1.843 1.00 0.00 C HETATM 26 N UNL 1 2.994 -3.601 -1.391 1.00 0.00 N HETATM 27 N UNL 1 2.598 -4.904 -3.136 1.00 0.00 N HETATM 28 C UNL 1 3.372 -3.820 -3.498 1.00 0.00 C HETATM 29 C UNL 1 3.776 -3.093 -2.390 1.00 0.00 C HETATM 30 N UNL 1 -6.990 1.913 4.748 1.00 0.00 N1+ HETATM 31 O UNL 1 -6.449 2.611 3.894 1.00 0.00 O HETATM 32 O UNL 1 -7.997 2.234 5.389 1.00 0.00 O1- HETATM 33 H UNL 1 4.032 -2.357 1.603 1.00 0.00 H HETATM 34 H UNL 1 3.402 -0.689 -1.178 1.00 0.00 H HETATM 35 H UNL 1 3.260 0.079 0.406 1.00 0.00 H HETATM 36 H UNL 1 1.278 -0.392 1.221 1.00 0.00 H HETATM 37 H UNL 1 0.574 -1.993 1.249 1.00 0.00 H HETATM 38 H UNL 1 0.281 -1.869 -1.297 1.00 0.00 H HETATM 39 H UNL 1 0.848 -0.211 -1.250 1.00 0.00 H HETATM 40 H UNL 1 -1.630 -1.349 0.123 1.00 0.00 H HETATM 41 H UNL 1 -1.620 -0.358 -1.329 1.00 0.00 H HETATM 42 H UNL 1 -0.649 1.558 -0.040 1.00 0.00 H HETATM 43 H UNL 1 -0.708 0.597 1.436 1.00 0.00 H HETATM 44 H UNL 1 -3.120 1.485 -0.219 1.00 0.00 H HETATM 45 H UNL 1 -2.585 2.156 1.315 1.00 0.00 H HETATM 46 H UNL 1 -2.933 -0.090 2.394 1.00 0.00 H HETATM 47 H UNL 1 -3.602 -0.687 0.855 1.00 0.00 H HETATM 48 H UNL 1 -5.243 1.351 1.113 1.00 0.00 H HETATM 49 H UNL 1 -3.648 -1.258 4.233 1.00 0.00 H HETATM 50 H UNL 1 -3.768 -1.871 6.612 1.00 0.00 H HETATM 51 H UNL 1 -6.010 -1.510 7.663 1.00 0.00 H HETATM 52 H UNL 1 -7.157 0.661 7.161 1.00 0.00 H HETATM 53 H UNL 1 3.601 -3.618 -4.537 1.00 0.00 H HETATM 54 H UNL 1 4.460 -2.267 -2.285 1.00 0.00 H CONECT 1 2 33 CONECT 2 1 3 13 CONECT 3 2 4 34 35 CONECT 4 3 5 14 CONECT 5 4 6 36 37 CONECT 6 5 7 38 39 CONECT 7 6 8 40 41 CONECT 8 7 9 42 43 CONECT 9 8 10 44 45 CONECT 10 9 11 46 47 CONECT 11 10 12 48 CONECT 12 11 15 21 22 CONECT 13 2 CONECT 14 4 23 26 CONECT 15 12 16 20 CONECT 16 15 17 49 CONECT 17 16 18 50 CONECT 18 17 19 51 CONECT 19 18 20 52 CONECT 20 19 15 30 CONECT 21 12 CONECT 22 12 CONECT 23 14 24 CONECT 24 23 25 CONECT 25 24 26 27 CONECT 26 25 14 29 CONECT 27 25 28 CONECT 28 27 29 53 CONECT 29 28 26 54 CONECT 30 20 31 32 CONECT 31 30 CONECT 32 30 CONECT 33 1 CONECT 34 3 CONECT 35 3 CONECT 36 5 CONECT 37 5 CONECT 38 6 CONECT 39 6 CONECT 40 7 CONECT 41 7 CONECT 42 8 CONECT 43 8 CONECT 44 9 CONECT 45 9 CONECT 46 10 CONECT 47 10 CONECT 48 11 CONECT 49 16 CONECT 50 17 CONECT 51 18 CONECT 52 19 CONECT 53 28 CONECT 54 29 MASTER 0 0 0 0 0 0 0 0 54 0 54 0 END M END $$$$