REMARK Name = BDB017364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.402 0.347 -0.561 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.588 1.065 0.312 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.193 1.021 0.182 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.417 0.282 -0.836 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.403 -0.471 -1.683 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.797 -0.430 -1.555 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 4.263 1.843 1.228 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.612 1.033 0.380 0.00 0.00 +0.249 C ATOM 9 N LIG 1 3.812 0.334 -0.500 0.00 0.00 -0.281 N ATOM 10 H LIG 1 4.266 -0.249 -1.195 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 6.072 0.802 0.219 0.00 0.00 +0.049 A ATOM 12 C LIG 1 6.660 -0.476 0.274 0.00 0.00 +0.070 A ATOM 13 C LIG 1 8.053 -0.580 0.107 0.00 0.00 +0.051 A ATOM 14 C LIG 1 8.828 0.560 -0.084 0.00 0.00 +0.124 A ATOM 15 F LIG 1 10.152 0.437 -0.237 0.00 0.00 -0.205 F ATOM 16 C LIG 1 8.251 1.822 -0.110 0.00 0.00 +0.039 A ATOM 17 C LIG 1 6.871 1.945 0.046 0.00 0.00 +0.016 A BRANCH 12 18 ATOM 18 C LIG 1 5.843 -1.718 0.506 0.00 0.00 +0.418 C ATOM 19 F LIG 1 6.600 -2.823 0.754 0.00 0.00 -0.166 F ATOM 20 F LIG 1 4.983 -1.617 1.550 0.00 0.00 -0.166 F ATOM 21 F LIG 1 5.092 -2.030 -0.589 0.00 0.00 -0.166 F ENDBRANCH 12 18 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 22 ATOM 22 N LIG 1 -1.822 0.179 -0.949 0.00 0.00 -0.314 N ATOM 23 H LIG 1 -2.093 -0.266 -1.825 0.00 0.00 +0.152 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.795 1.162 -0.614 0.00 0.00 +0.044 A ATOM 25 C LIG 1 -4.081 0.805 -0.146 0.00 0.00 +0.042 A ATOM 26 C LIG 1 -5.000 1.859 -0.029 0.00 0.00 +0.143 A ATOM 27 N LIG 1 -6.309 1.602 0.349 0.00 0.00 -0.307 N ATOM 28 H LIG 1 -6.937 2.390 0.386 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -6.806 0.368 0.610 0.00 0.00 +0.254 A ATOM 30 C LIG 1 -5.837 -0.765 0.566 0.00 0.00 +0.021 A ATOM 31 C LIG 1 -6.419 -2.106 0.935 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -5.486 -3.276 0.633 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -4.068 -2.945 1.064 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -3.549 -1.706 0.327 0.00 0.00 +0.036 C ATOM 35 O LIG 1 -7.989 0.197 0.888 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -4.745 3.159 -0.294 0.00 0.00 -0.237 NA ATOM 37 C LIG 1 -3.510 3.457 -0.725 0.00 0.00 +0.115 A ATOM 38 C LIG 1 -4.539 -0.565 0.242 0.00 0.00 -0.027 A ATOM 39 C LIG 1 -2.526 2.508 -0.916 0.00 0.00 +0.043 A ENDBRANCH 22 24 ENDBRANCH 4 22 TORSDOF 5