REMARK Name = BDB024202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.200 -0.434 1.036 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.372 0.445 2.266 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.616 -0.144 3.520 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.816 0.647 4.653 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.779 2.038 4.547 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.540 2.637 3.311 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.343 1.847 2.176 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.962 0.001 0.197 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.230 -0.421 0.748 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.218 -0.932 1.619 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.083 0.646 -0.845 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.526 -0.185 0.297 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.468 -0.753 1.079 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.766 -0.572 0.726 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.185 0.162 -0.378 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.189 0.736 -1.166 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.844 0.559 -0.830 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.591 0.308 -0.691 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.174 1.446 -1.212 0.00 0.00 +0.117 A ATOM 20 N LIG 1 7.506 1.166 -1.347 0.00 0.00 -0.268 N ATOM 21 N LIG 1 7.841 -0.058 -0.899 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.674 -0.584 -0.519 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 8.514 2.150 -1.784 0.00 0.00 +0.107 C ATOM 24 C LIG 1 9.674 1.531 -2.610 0.00 0.00 +0.027 C ATOM 25 C LIG 1 9.611 2.800 -3.492 0.00 0.00 +0.004 C ATOM 26 C LIG 1 8.129 2.919 -3.078 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 -3.432 -0.380 0.217 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.360 0.478 -0.342 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.573 -1.516 -0.703 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -4.209 -3.227 1.122 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -4.561 -2.623 -0.241 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -6.022 -2.185 -0.289 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.906 -2.803 -1.188 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -8.251 -2.418 -1.245 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -8.731 -1.409 -0.404 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -7.861 -0.788 0.496 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -6.519 -1.177 0.553 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -10.110 -1.015 -0.461 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -11.226 -0.696 -0.506 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10