REMARK Name = BDB065165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.035 0.471 -0.786 0.00 0.00 +0.131 C ATOM 2 C LIG 1 -1.332 1.173 -1.043 0.00 0.00 +0.113 C ATOM 3 C LIG 1 -2.227 -0.092 -1.153 0.00 0.00 +0.172 C ATOM 4 C LIG 1 -3.636 0.021 -0.612 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -4.539 0.047 -1.679 0.00 0.00 +0.041 A ATOM 6 C LIG 1 -5.902 0.165 -1.504 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -6.367 0.244 -0.192 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -5.482 0.189 0.899 0.00 0.00 +0.020 A ATOM 9 CL LIG 1 -8.058 0.389 0.099 0.00 0.00 -0.083 Cl ATOM 10 N LIG 1 -3.868 -0.125 -2.880 0.00 0.00 -0.283 N ATOM 11 H LIG 1 -4.295 -0.202 -3.793 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -4.104 0.068 0.693 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -2.498 -0.295 -2.677 0.00 0.00 +0.248 C ATOM 14 O LIG 1 -1.689 -0.506 -3.567 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -1.402 -1.172 -0.559 0.00 0.00 -0.204 N ATOM 16 N LIG 1 -0.084 -0.787 -0.462 0.00 0.00 -0.177 NA ENDROOT BRANCH 15 17 ATOM 17 C LIG 1 -1.683 -2.537 -0.472 0.00 0.00 +0.053 A ATOM 18 C LIG 1 -0.748 -3.410 0.125 0.00 0.00 +0.026 A ATOM 19 C LIG 1 -0.976 -4.785 0.254 0.00 0.00 +0.022 A ATOM 20 C LIG 1 -2.162 -5.328 -0.214 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -2.460 -7.014 -0.061 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -3.111 -4.505 -0.806 0.00 0.00 +0.022 A ATOM 23 C LIG 1 -2.869 -3.128 -0.930 0.00 0.00 +0.026 A ENDBRANCH 15 17 BRANCH 2 24 ATOM 24 C LIG 1 -1.690 2.185 0.032 0.00 0.00 -0.032 A ATOM 25 C LIG 1 -2.438 3.317 -0.330 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -2.807 4.254 0.630 0.00 0.00 +0.117 A ATOM 27 C LIG 1 -2.443 4.094 1.962 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -1.702 2.974 2.336 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -1.329 2.024 1.380 0.00 0.00 +0.004 A BRANCH 26 30 ATOM 30 O LIG 1 -3.537 5.329 0.217 0.00 0.00 -0.507 OA ATOM 31 H LIG 1 -3.680 5.917 0.977 0.00 0.00 +0.292 HD ENDBRANCH 26 30 ENDBRANCH 2 24 BRANCH 1 33 ATOM 32 O LIG 1 1.275 2.356 -1.309 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 1.278 1.217 -0.872 0.00 0.00 +0.265 C ATOM 34 N LIG 1 2.334 0.456 -0.423 0.00 0.00 -0.280 N ATOM 35 H LIG 1 2.088 -0.492 -0.146 0.00 0.00 +0.155 HD BRANCH 34 36 ATOM 36 C LIG 1 3.688 0.823 -0.340 0.00 0.00 +0.036 A ATOM 37 C LIG 1 4.585 -0.143 0.136 0.00 0.00 +0.051 A ATOM 38 C LIG 1 5.957 0.142 0.253 0.00 0.00 +0.067 A ATOM 39 C LIG 1 6.429 1.407 -0.113 0.00 0.00 +0.028 A ATOM 40 C LIG 1 5.536 2.370 -0.586 0.00 0.00 +0.004 A ATOM 41 C LIG 1 4.174 2.080 -0.699 0.00 0.00 +0.023 A BRANCH 38 42 ATOM 42 N LIG 1 6.837 -0.864 0.741 0.00 0.00 -0.240 N ATOM 43 N LIG 1 6.366 -2.087 1.107 0.00 0.00 -0.175 NA ATOM 44 C LIG 1 7.444 -2.762 1.505 0.00 0.00 +0.135 A ATOM 45 C LIG 1 8.617 -2.004 1.413 0.00 0.00 +0.041 A ATOM 46 C LIG 1 8.204 -0.789 0.921 0.00 0.00 +0.114 A ENDBRANCH 38 42 ENDBRANCH 34 36 ENDBRANCH 1 33 TORSDOF 6