REMARK Name = BDB024115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.234 -1.612 -0.076 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.832 -2.968 -0.650 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.198 -3.930 0.153 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.177 -5.163 -0.380 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.084 -5.453 -1.718 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.725 -4.513 -2.523 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.101 -3.278 -1.993 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.004 -0.850 0.518 0.00 0.00 +0.239 C ATOM 9 N LIG 1 1.043 -0.732 -0.404 0.00 0.00 -0.284 N ATOM 10 H LIG 1 0.950 -1.267 -1.260 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 0.018 -0.371 1.650 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.267 -0.052 -0.244 0.00 0.00 +0.033 A ATOM 13 C LIG 1 3.200 -0.165 -1.278 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.438 0.486 -1.200 0.00 0.00 +0.012 A ATOM 15 C LIG 1 4.790 1.269 -0.086 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.834 1.379 0.938 0.00 0.00 +0.012 A ATOM 17 C LIG 1 2.593 0.728 0.862 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 6.101 1.943 -0.020 0.00 0.00 +0.093 A ATOM 19 N LIG 1 6.666 2.276 -1.206 0.00 0.00 -0.149 NA ATOM 20 N LIG 1 7.885 2.904 -1.256 0.00 0.00 -0.157 NA ATOM 21 C LIG 1 8.526 3.189 -0.110 0.00 0.00 +0.135 A ATOM 22 C LIG 1 8.002 2.868 1.124 0.00 0.00 +0.024 A ATOM 23 C LIG 1 6.765 2.230 1.169 0.00 0.00 +0.032 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.311 -1.811 0.918 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.952 -2.526 0.578 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.059 -0.590 1.239 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.106 -0.220 0.176 0.00 0.00 +0.050 C BRANCH 27 31 ATOM 28 C LIG 1 -6.393 3.248 1.363 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -5.152 3.405 0.739 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -4.415 2.283 0.351 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.912 0.993 0.580 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -6.154 0.842 1.212 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.891 1.964 1.600 0.00 0.00 +0.019 A BRANCH 28 35 ATOM 34 N LIG 1 -7.765 5.330 2.078 0.00 0.00 -0.191 NA ATOM 35 C LIG 1 -7.150 4.399 1.759 0.00 0.00 +0.099 C ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9