REMARK Name = BDB001166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.969 0.381 -0.704 0.00 0.00 +0.237 C ATOM 2 N LIG 1 1.658 1.450 -1.536 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.311 2.033 -1.652 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -0.203 1.391 -2.938 0.00 0.00 +0.033 C ATOM 5 C LIG 1 1.052 1.283 -3.814 0.00 0.00 +0.021 C ATOM 6 C LIG 1 2.238 1.534 -2.871 0.00 0.00 +0.109 C ATOM 7 O LIG 1 1.139 -0.145 0.040 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.782 2.134 -0.562 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -1.134 0.967 0.061 0.00 0.00 -0.313 N ATOM 10 H LIG 1 -0.422 0.235 0.070 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -1.416 3.179 -0.404 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.194 0.882 1.054 0.00 0.00 +0.117 C BRANCH 12 13 ATOM 13 C LIG 1 -3.147 -0.315 0.795 0.00 0.00 +0.066 C BRANCH 13 14 ATOM 14 C LIG 1 -4.089 -0.508 1.982 0.00 0.00 -0.038 A ATOM 15 C LIG 1 -5.038 0.468 2.329 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -5.882 0.281 3.425 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.790 -0.883 4.187 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.859 -1.864 3.850 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.015 -1.681 2.753 0.00 0.00 +0.004 A ENDBRANCH 13 14 BRANCH 13 20 ATOM 20 C LIG 1 -3.905 -0.297 -0.535 0.00 0.00 -0.038 A ATOM 21 C LIG 1 -4.196 0.883 -1.237 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -4.900 0.843 -2.445 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -5.335 -0.375 -2.962 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.067 -1.555 -2.275 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.359 -1.516 -1.071 0.00 0.00 +0.004 A ENDBRANCH 13 20 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 26 ATOM 26 C LIG 1 3.442 -0.114 -0.695 0.00 0.00 +0.162 C BRANCH 26 27 ATOM 27 N LIG 1 3.845 -0.266 0.699 0.00 0.00 -0.302 N ATOM 28 H LIG 1 3.318 -0.909 1.288 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 4.437 0.764 1.401 0.00 0.00 +0.230 C ATOM 30 O LIG 1 4.869 1.783 0.870 0.00 0.00 -0.274 OA BRANCH 29 31 ATOM 31 C LIG 1 4.442 0.535 2.931 0.00 0.00 +0.135 C ATOM 32 C LIG 1 5.635 1.215 3.589 0.00 0.00 +0.033 C BRANCH 31 33 ATOM 33 N LIG 1 4.425 -0.916 3.238 0.00 0.00 -0.320 NA ATOM 34 H LIG 1 5.280 -1.328 2.858 0.00 0.00 +0.119 HD ATOM 35 H LIG 1 4.492 -1.033 4.250 0.00 0.00 +0.119 HD ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 26 27 BRANCH 26 37 ATOM 36 C LIG 1 3.002 -2.663 -0.812 0.00 0.00 +0.009 C ATOM 37 C LIG 1 3.601 -1.429 -1.497 0.00 0.00 +0.012 C ATOM 38 C LIG 1 5.080 -1.685 -1.809 0.00 0.00 +0.009 C ENDBRANCH 26 37 ENDBRANCH 1 26 TORSDOF 10