REMARK Name = BDB059126 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.815 -0.540 0.158 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -3.148 -1.108 -1.100 0.00 0.00 +0.166 C ATOM 3 C LIG 1 -2.152 -0.013 -1.493 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -1.547 0.406 -0.148 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -2.719 0.307 0.847 0.00 0.00 +0.034 C ENDROOT BRANCH 1 10 ATOM 6 C LIG 1 -8.548 0.194 -0.634 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -7.205 0.589 -0.565 0.00 0.00 +0.058 A ATOM 8 C LIG 1 -6.470 1.781 -0.800 0.00 0.00 +0.032 A ATOM 9 C LIG 1 -5.139 1.508 -0.560 0.00 0.00 +0.089 A ATOM 10 N LIG 1 -5.036 0.193 -0.171 0.00 0.00 -0.326 N ATOM 11 C LIG 1 -6.288 -0.381 -0.183 0.00 0.00 +0.146 A ATOM 12 N LIG 1 -6.564 -1.661 0.114 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -7.878 -1.922 0.009 0.00 0.00 +0.225 A ATOM 14 N LIG 1 -8.870 -1.079 -0.336 0.00 0.00 -0.220 NA BRANCH 6 15 ATOM 15 N LIG 1 -9.585 1.048 -0.984 0.00 0.00 -0.343 N ATOM 16 H LIG 1 -10.476 0.652 -0.706 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 -9.432 2.017 -0.742 0.00 0.00 +0.144 HD ENDBRANCH 6 15 ENDBRANCH 1 10 BRANCH 2 18 ATOM 18 O LIG 1 -2.438 -2.313 -0.780 0.00 0.00 -0.387 OA ATOM 19 H LIG 1 -1.617 -2.293 -1.313 0.00 0.00 +0.210 HD ENDBRANCH 2 18 BRANCH 3 20 ATOM 20 O LIG 1 -1.151 -0.533 -2.360 0.00 0.00 -0.389 OA ATOM 21 H LIG 1 -1.562 -0.667 -3.234 0.00 0.00 +0.210 HD ENDBRANCH 3 20 BRANCH 4 22 ATOM 22 C LIG 1 -0.888 1.791 -0.214 0.00 0.00 +0.011 C BRANCH 22 23 ATOM 23 C LIG 1 -0.259 2.260 1.105 0.00 0.00 +0.035 C BRANCH 23 24 ATOM 24 C LIG 1 0.898 1.409 1.569 0.00 0.00 -0.045 A ATOM 25 C LIG 1 2.120 1.433 0.876 0.00 0.00 +0.032 A ATOM 26 C LIG 1 3.209 0.661 1.265 0.00 0.00 +0.073 A ATOM 27 C LIG 1 3.064 -0.167 2.394 0.00 0.00 +0.001 A ATOM 28 C LIG 1 4.163 -0.938 2.782 0.00 0.00 +0.013 A ATOM 29 C LIG 1 5.343 -0.868 2.049 0.00 0.00 +0.044 A ATOM 30 C LIG 1 5.396 -0.034 0.941 0.00 0.00 +0.119 A ATOM 31 C LIG 1 1.850 -0.201 3.100 0.00 0.00 +0.010 A ATOM 32 N LIG 1 4.353 0.726 0.559 0.00 0.00 -0.232 NA ATOM 33 C LIG 1 0.774 0.584 2.688 0.00 0.00 +0.004 A BRANCH 30 34 ATOM 34 N LIG 1 6.550 0.096 0.166 0.00 0.00 -0.329 N ATOM 35 H LIG 1 6.286 0.782 -0.540 0.00 0.00 +0.147 HD BRANCH 34 36 ATOM 36 C LIG 1 6.977 -1.150 -0.457 0.00 0.00 +0.106 C BRANCH 36 37 ATOM 37 C LIG 1 8.091 -0.842 -1.414 0.00 0.00 +0.006 C ATOM 38 C LIG 1 9.201 -1.836 -1.648 0.00 0.00 +0.005 C ATOM 39 C LIG 1 9.483 -0.558 -0.907 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10