REMARK Name = BDB006165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.294 0.703 0.191 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -1.552 1.196 1.573 0.00 0.00 -0.252 N ATOM 3 C LIG 1 -0.370 1.337 2.341 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -0.216 1.806 3.456 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.678 0.871 1.458 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.978 0.670 1.581 0.00 0.00 -0.161 NA ATOM 7 N LIG 1 2.378 0.277 0.327 0.00 0.00 -0.235 N ATOM 8 C LIG 1 1.264 0.058 -0.520 0.00 0.00 +0.054 A ATOM 9 C LIG 1 0.183 0.511 0.217 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -2.801 0.155 -2.375 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -2.630 -0.895 -1.310 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -1.927 -0.650 -0.104 0.00 0.00 -0.019 A ATOM 13 C LIG 1 -1.835 -1.699 0.841 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.416 -2.947 0.605 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -3.104 -3.170 -0.579 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -3.824 -4.703 -0.876 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -3.215 -2.157 -1.528 0.00 0.00 +0.023 A ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -2.861 1.492 2.047 0.00 0.00 +0.074 A ATOM 19 C LIG 1 -3.216 1.341 3.398 0.00 0.00 +0.163 A ATOM 20 F LIG 1 -2.354 0.791 4.268 0.00 0.00 -0.202 F ATOM 21 C LIG 1 -4.506 1.645 3.843 0.00 0.00 +0.078 A ATOM 22 CL LIG 1 -4.937 1.438 5.498 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 -5.471 2.096 2.945 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -5.146 2.227 1.598 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -3.855 1.920 1.152 0.00 0.00 +0.026 A ENDBRANCH 2 18 BRANCH 7 26 ATOM 26 C LIG 1 3.786 0.198 0.105 0.00 0.00 +0.066 A ATOM 27 C LIG 1 4.630 -0.033 1.207 0.00 0.00 +0.029 A ATOM 28 C LIG 1 6.019 -0.096 1.047 0.00 0.00 +0.021 A ATOM 29 C LIG 1 6.584 0.094 -0.214 0.00 0.00 +0.052 A ATOM 30 C LIG 1 5.754 0.358 -1.307 0.00 0.00 +0.021 A ATOM 31 C LIG 1 4.363 0.419 -1.145 0.00 0.00 +0.029 A BRANCH 29 32 ATOM 32 C LIG 1 8.006 0.033 -0.387 0.00 0.00 +0.099 C ATOM 33 N LIG 1 9.156 -0.017 -0.536 0.00 0.00 -0.191 NA ENDBRANCH 29 32 ENDBRANCH 7 26 BRANCH 8 34 ATOM 34 C LIG 1 1.198 -0.648 -1.854 0.00 0.00 +0.032 C ATOM 35 C LIG 1 1.210 0.306 -3.046 0.00 0.00 +0.014 C ATOM 36 C LIG 1 2.134 -1.841 -2.021 0.00 0.00 +0.014 C ENDBRANCH 8 34 TORSDOF 5