REMARK Name = BDB010351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.117 -0.459 0.943 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.725 -0.437 1.005 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.073 -0.944 2.120 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.281 -0.876 1.997 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.491 -0.314 0.832 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.696 -1.453 3.195 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.028 -1.403 3.070 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.304 0.019 0.209 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.747 -0.944 2.029 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.698 -0.045 0.254 0.00 0.00 -0.298 N ATOM 11 C LIG 1 3.445 -1.270 -0.159 0.00 0.00 +0.079 C ATOM 12 C LIG 1 4.928 -0.917 -0.411 0.00 0.00 +0.010 C ATOM 13 C LIG 1 5.708 -2.011 -1.160 0.00 0.00 +0.005 C ATOM 14 C LIG 1 4.953 -3.332 -1.227 0.00 0.00 +0.000 C ATOM 15 C LIG 1 3.566 -3.167 -1.848 0.00 0.00 +0.002 C ATOM 16 C LIG 1 5.587 -0.539 0.924 0.00 0.00 +0.007 C ATOM 17 C LIG 1 4.620 0.220 1.839 0.00 0.00 +0.019 C ATOM 18 C LIG 1 2.849 -1.878 -1.435 0.00 0.00 +0.023 C ATOM 19 C LIG 1 3.514 0.914 1.046 0.00 0.00 +0.108 C ENDBRANCH 5 10 BRANCH 7 20 ATOM 20 C LIG 1 -2.788 -1.938 4.222 0.00 0.00 +0.220 A ATOM 21 N LIG 1 -2.117 -2.402 5.290 0.00 0.00 -0.269 N ATOM 22 H LIG 1 -1.118 -2.434 5.413 0.00 0.00 +0.174 HD ATOM 23 C LIG 1 -3.031 -2.823 6.172 0.00 0.00 +0.440 A ATOM 24 O LIG 1 -2.802 -3.311 7.267 0.00 0.00 -0.221 OA ATOM 25 O LIG 1 -4.279 -2.613 5.638 0.00 0.00 -0.295 OA ATOM 26 N LIG 1 -4.073 -2.027 4.346 0.00 0.00 -0.051 NA ENDBRANCH 7 20 BRANCH 1 27 ATOM 27 N LIG 1 -2.836 -0.013 -0.154 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -2.367 -0.219 -1.027 0.00 0.00 +0.148 HD BRANCH 27 30 ATOM 29 C LIG 1 -5.044 0.651 0.779 0.00 0.00 +0.028 C ATOM 30 C LIG 1 -4.291 -0.183 -0.256 0.00 0.00 +0.072 C BRANCH 30 31 ATOM 31 C LIG 1 -4.742 -1.644 -0.233 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -4.192 -2.558 -1.364 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -5.567 -3.256 -1.370 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -6.154 -1.944 -0.812 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 C LIG 1 0.188 0.728 -1.053 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.307 2.182 -0.918 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.685 2.764 -2.297 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.436 3.605 -2.900 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.806 4.805 -2.008 0.00 0.00 -0.014 C ATOM 40 C LIG 1 0.081 6.077 -2.451 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.538 4.535 -0.517 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.725 3.060 -0.182 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 7