REMARK Name = BDB008154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.815 0.982 0.675 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.192 2.863 -0.171 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.585 1.645 -0.370 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -1.770 1.115 -1.216 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -2.060 3.508 0.868 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.999 3.384 -1.377 0.00 0.00 +0.156 C ATOM 7 C LIG 1 -2.051 3.922 -2.442 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 C LIG 1 -5.886 5.229 0.219 0.00 0.00 +0.109 C ATOM 9 C LIG 1 -5.162 4.105 -0.472 0.00 0.00 +0.211 C ATOM 10 N LIG 1 -3.896 4.435 -0.908 0.00 0.00 -0.304 N ATOM 11 H LIG 1 -3.442 5.184 -0.397 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 -5.668 2.998 -0.625 0.00 0.00 -0.276 OA ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 0.130 -0.026 0.001 0.00 0.00 +0.234 C ATOM 14 N LIG 1 1.258 -0.339 0.720 0.00 0.00 -0.302 N ATOM 15 H LIG 1 1.321 -0.038 1.689 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -0.147 -0.554 -1.078 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 2.128 -1.460 0.351 0.00 0.00 +0.162 C BRANCH 17 18 ATOM 18 C LIG 1 3.616 -1.058 0.427 0.00 0.00 +0.018 C ATOM 19 C LIG 1 4.539 -2.269 0.166 0.00 0.00 +0.006 C ATOM 20 C LIG 1 5.938 -1.893 -0.330 0.00 0.00 +0.000 C ATOM 21 C LIG 1 6.351 -0.501 0.122 0.00 0.00 +0.000 C ATOM 22 C LIG 1 5.392 0.567 -0.399 0.00 0.00 +0.000 C ATOM 23 C LIG 1 3.950 0.075 -0.557 0.00 0.00 +0.006 C ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 1.804 -2.558 1.381 0.00 0.00 +0.231 C ATOM 25 O LIG 1 1.847 -2.367 2.595 0.00 0.00 -0.274 OA ATOM 26 N LIG 1 1.406 -3.761 0.873 0.00 0.00 -0.328 N ATOM 27 H LIG 1 0.840 -3.754 0.021 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 1.070 -4.423 1.562 0.00 0.00 +0.145 HD ENDBRANCH 17 24 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 29 ATOM 29 C LIG 1 -1.724 0.301 1.717 0.00 0.00 +0.033 C BRANCH 29 30 ATOM 30 C LIG 1 -2.610 -0.826 1.154 0.00 0.00 +0.023 C BRANCH 30 31 ATOM 31 C LIG 1 -1.986 -2.211 1.334 0.00 0.00 +0.115 C BRANCH 31 32 ATOM 32 N LIG 1 -2.585 -3.153 0.413 0.00 0.00 -0.356 N ATOM 33 H LIG 1 -3.476 -3.526 0.717 0.00 0.00 +0.162 HD BRANCH 32 34 ATOM 34 C LIG 1 -2.000 -3.757 -0.639 0.00 0.00 +0.188 C ATOM 35 N LIG 1 -2.513 -4.759 -1.260 0.00 0.00 -0.269 NA ATOM 36 H LIG 1 -3.408 -5.001 -0.830 0.00 0.00 +0.190 HD BRANCH 34 37 ATOM 37 N LIG 1 -0.809 -3.291 -1.062 0.00 0.00 -0.370 N ATOM 38 H LIG 1 -0.794 -2.273 -1.166 0.00 0.00 +0.159 HD ATOM 39 H LIG 1 -0.619 -3.706 -1.972 0.00 0.00 +0.159 HD ENDBRANCH 34 37 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 13