REMARK Name = BDB046481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.099 -0.335 -0.650 0.00 0.00 -0.279 N ATOM 2 C LIG 1 -3.200 0.251 -1.230 0.00 0.00 +0.347 A ATOM 3 O LIG 1 -4.330 -0.205 -1.296 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -2.741 1.467 -1.730 0.00 0.00 -0.209 N ATOM 5 N LIG 1 -1.402 1.626 -1.457 0.00 0.00 -0.153 NA ATOM 6 C LIG 1 -1.079 0.530 -0.829 0.00 0.00 +0.134 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.109 -1.651 -0.037 0.00 0.00 +0.128 C BRANCH 7 8 ATOM 8 C LIG 1 -1.866 -2.748 -1.076 0.00 0.00 +0.022 C BRANCH 8 9 ATOM 9 C LIG 1 -1.742 -4.146 -0.466 0.00 0.00 +0.002 C BRANCH 9 10 ATOM 10 C LIG 1 -3.038 -4.641 0.180 0.00 0.00 -0.000 C BRANCH 10 12 ATOM 11 C LIG 1 -4.179 -6.581 1.316 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -2.896 -6.082 0.671 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 13 ATOM 13 C LIG 1 -3.557 2.494 -2.329 0.00 0.00 +0.184 C BRANCH 13 14 ATOM 14 C LIG 1 -4.034 3.502 -1.314 0.00 0.00 -0.023 A ATOM 15 C LIG 1 -5.268 3.334 -0.666 0.00 0.00 +0.051 A ATOM 16 C LIG 1 -5.713 4.255 0.288 0.00 0.00 +0.120 A ATOM 17 C LIG 1 -4.912 5.352 0.605 0.00 0.00 +0.045 A ATOM 18 C LIG 1 -3.675 5.522 -0.022 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -3.236 4.601 -0.973 0.00 0.00 +0.005 A BRANCH 16 20 ATOM 20 O LIG 1 -6.936 3.968 0.831 0.00 0.00 -0.495 OA ATOM 21 C LIG 1 -7.426 4.864 1.819 0.00 0.00 +0.277 C ENDBRANCH 16 20 ENDBRANCH 13 14 ENDBRANCH 4 13 BRANCH 6 22 ATOM 22 C LIG 1 0.300 0.224 -0.318 0.00 0.00 +0.081 C BRANCH 22 23 ATOM 23 C LIG 1 1.318 1.300 -0.682 0.00 0.00 +0.043 C BRANCH 23 24 ATOM 24 C LIG 1 2.693 0.951 -0.170 0.00 0.00 -0.047 A ATOM 25 C LIG 1 3.591 0.236 -0.970 0.00 0.00 +0.007 A ATOM 26 C LIG 1 4.862 -0.109 -0.491 0.00 0.00 +0.046 A ATOM 27 C LIG 1 5.254 0.256 0.792 0.00 0.00 +0.122 A ATOM 28 C LIG 1 4.349 0.956 1.596 0.00 0.00 +0.046 A ATOM 29 C LIG 1 3.082 1.305 1.124 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 O LIG 1 6.438 -0.011 1.405 0.00 0.00 -0.475 OA BRANCH 30 31 ATOM 31 C LIG 1 7.627 -0.447 0.728 0.00 0.00 +0.200 C ATOM 32 C LIG 1 8.046 0.433 -0.455 0.00 0.00 +0.067 C ATOM 33 C LIG 1 7.553 -1.936 0.372 0.00 0.00 +0.067 C BRANCH 31 34 ATOM 34 C LIG 1 8.730 -0.281 1.792 0.00 0.00 +0.348 C ATOM 35 O LIG 1 9.561 -1.114 2.125 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 8.761 0.944 2.364 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 9.486 0.882 3.020 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 15