REMARK Name = BDB032510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.162 -0.733 1.294 0.00 0.00 +0.137 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -1.188 0.568 0.103 0.00 0.00 +0.215 A ATOM 3 N LIG 1 -1.416 1.648 0.879 0.00 0.00 -0.221 NA ATOM 4 C LIG 1 -0.465 1.952 1.787 0.00 0.00 +0.115 A ATOM 5 C LIG 1 0.699 1.221 1.964 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.909 0.096 1.163 0.00 0.00 -0.024 A ATOM 7 C LIG 1 -0.058 -0.227 0.205 0.00 0.00 +0.072 A BRANCH 2 8 ATOM 8 O LIG 1 -2.112 0.189 -0.850 0.00 0.00 -0.476 OA BRANCH 8 9 ATOM 9 C LIG 1 -3.250 1.048 -0.961 0.00 0.00 +0.234 C BRANCH 9 14 ATOM 10 C LIG 1 -7.870 -0.400 -0.599 0.00 0.00 +0.104 C ATOM 11 N LIG 1 -7.124 -0.207 0.642 0.00 0.00 -0.305 NA ATOM 12 C LIG 1 -5.988 -1.129 0.760 0.00 0.00 +0.084 C ATOM 13 C LIG 1 -4.808 -0.791 -0.155 0.00 0.00 +0.022 C ATOM 14 C LIG 1 -4.352 0.663 0.038 0.00 0.00 +0.029 C ATOM 15 C LIG 1 -5.548 1.615 -0.086 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -6.699 1.186 0.827 0.00 0.00 +0.084 C ENDBRANCH 9 14 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 6 BRANCH 1 17 ATOM 17 N LIG 1 3.053 -0.431 0.184 0.00 0.00 -0.339 N ATOM 18 H LIG 1 3.011 0.553 -0.086 0.00 0.00 +0.146 HD BRANCH 17 19 ATOM 19 C LIG 1 4.378 -0.909 0.207 0.00 0.00 +0.038 A ATOM 20 C LIG 1 5.416 -0.208 -0.487 0.00 0.00 +0.043 A ATOM 21 C LIG 1 6.730 -0.748 -0.533 0.00 0.00 +0.026 A ATOM 22 C LIG 1 7.737 -0.022 -1.224 0.00 0.00 +0.124 A ATOM 23 N LIG 1 7.515 1.153 -1.838 0.00 0.00 -0.237 NA ATOM 24 C LIG 1 6.266 1.651 -1.781 0.00 0.00 +0.151 A ATOM 25 C LIG 1 6.977 -1.982 0.106 0.00 0.00 +0.012 A ATOM 26 C LIG 1 5.964 -2.675 0.759 0.00 0.00 +0.003 A ATOM 27 C LIG 1 5.219 1.025 -1.134 0.00 0.00 +0.151 A ATOM 28 F LIG 1 4.022 1.636 -1.119 0.00 0.00 -0.203 F ATOM 29 C LIG 1 4.678 -2.148 0.796 0.00 0.00 +0.023 A BRANCH 22 30 ATOM 30 N LIG 1 9.053 -0.500 -1.313 0.00 0.00 -0.343 N ATOM 31 H LIG 1 9.056 -1.400 -1.782 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 9.439 -0.613 -0.381 0.00 0.00 +0.144 HD ENDBRANCH 22 30 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 7