REMARK Name = BDB008164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.107 0.998 0.131 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.905 -0.302 1.133 0.00 0.00 +0.237 C ATOM 3 N LIG 1 1.454 0.439 0.048 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.695 0.046 -0.858 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.593 -0.016 2.288 0.00 0.00 -0.273 OA BRANCH 2 6 ATOM 6 C LIG 1 2.904 -1.450 0.772 0.00 0.00 +0.110 C BRANCH 6 7 ATOM 7 N LIG 1 2.520 -1.977 -0.575 0.00 0.00 -0.302 N ATOM 8 H LIG 1 1.510 -1.917 -0.745 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 2.998 -3.076 -1.224 0.00 0.00 +0.211 C ATOM 10 O LIG 1 2.240 -3.718 -1.954 0.00 0.00 -0.276 OA ATOM 11 C LIG 1 4.447 -3.451 -1.087 0.00 0.00 +0.109 C ENDBRANCH 6 7 BRANCH 6 13 ATOM 12 C LIG 1 4.633 0.196 -0.270 0.00 0.00 +0.006 C ATOM 13 C LIG 1 4.330 -0.839 0.811 0.00 0.00 +0.032 C ENDBRANCH 6 13 BRANCH 6 14 ATOM 14 C LIG 1 2.782 -2.554 1.864 0.00 0.00 +0.032 C ATOM 15 C LIG 1 1.421 -3.248 1.926 0.00 0.00 +0.006 C ENDBRANCH 6 14 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 16 ATOM 16 C LIG 1 -0.840 -0.174 -0.211 0.00 0.00 +0.234 C ATOM 17 N LIG 1 -2.147 -0.003 0.159 0.00 0.00 -0.302 N ATOM 18 H LIG 1 -2.451 0.845 0.633 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 -0.434 -1.190 -0.781 0.00 0.00 -0.274 OA BRANCH 17 20 ATOM 20 C LIG 1 -3.152 -1.054 -0.002 0.00 0.00 +0.161 C BRANCH 20 21 ATOM 21 C LIG 1 -4.527 -0.357 0.047 0.00 0.00 +0.231 C ATOM 22 O LIG 1 -4.682 0.785 0.479 0.00 0.00 -0.274 OA ATOM 23 N LIG 1 -5.588 -1.071 -0.429 0.00 0.00 -0.328 N ATOM 24 H LIG 1 -6.482 -0.597 -0.484 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 -5.468 -1.907 -0.987 0.00 0.00 +0.145 HD ENDBRANCH 20 21 BRANCH 20 26 ATOM 26 C LIG 1 -2.962 -2.177 1.046 0.00 0.00 +0.012 C ATOM 27 C LIG 1 -3.785 -3.427 0.730 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -3.243 -1.714 2.480 0.00 0.00 +0.009 C ENDBRANCH 20 26 ENDBRANCH 17 20 ENDBRANCH 1 16 BRANCH 1 29 ATOM 29 C LIG 1 -0.107 2.151 -0.848 0.00 0.00 +0.033 C BRANCH 29 30 ATOM 30 C LIG 1 0.712 3.393 -0.468 0.00 0.00 +0.023 C BRANCH 30 31 ATOM 31 C LIG 1 0.412 4.580 -1.388 0.00 0.00 +0.115 C BRANCH 31 32 ATOM 32 N LIG 1 -0.963 5.017 -1.197 0.00 0.00 -0.356 N ATOM 33 H LIG 1 -1.184 5.217 -0.228 0.00 0.00 +0.162 HD BRANCH 32 34 ATOM 34 C LIG 1 -1.539 5.896 -2.050 0.00 0.00 +0.188 C ATOM 35 N LIG 1 -0.993 6.365 -3.111 0.00 0.00 -0.269 NA ATOM 36 H LIG 1 -1.627 7.026 -3.561 0.00 0.00 +0.190 HD BRANCH 34 37 ATOM 37 N LIG 1 -2.793 6.208 -1.664 0.00 0.00 -0.370 N ATOM 38 H LIG 1 -3.367 6.585 -2.410 0.00 0.00 +0.159 HD ATOM 39 H LIG 1 -3.264 5.430 -1.215 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 15