REMARK Name = BDB051032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.330 0.652 0.506 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.239 0.214 -0.282 0.00 0.00 +0.089 A ATOM 3 C LIG 1 -0.088 -0.314 0.359 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.003 -0.350 1.767 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -1.085 0.128 2.489 0.00 0.00 +0.137 A ATOM 6 O LIG 1 -0.852 0.022 3.826 0.00 0.00 -0.463 OA ATOM 7 C LIG 1 0.375 -0.540 3.971 0.00 0.00 +0.196 A ATOM 8 C LIG 1 0.935 -0.796 2.741 0.00 0.00 +0.050 A ATOM 9 C LIG 1 -2.249 0.623 1.915 0.00 0.00 +0.070 A ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -1.274 0.301 -1.794 0.00 0.00 +0.420 C ATOM 11 F LIG 1 -1.741 -0.835 -2.383 0.00 0.00 -0.166 F ATOM 12 F LIG 1 -0.050 0.549 -2.351 0.00 0.00 -0.166 F ATOM 13 F LIG 1 -2.050 1.313 -2.289 0.00 0.00 -0.166 F ENDBRANCH 2 10 BRANCH 3 14 ATOM 14 C LIG 1 1.018 -0.896 -0.425 0.00 0.00 +0.246 C ATOM 15 N LIG 1 2.258 -0.357 -0.181 0.00 0.00 -0.307 N ATOM 16 H LIG 1 2.297 0.544 0.289 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 0.779 -1.781 -1.234 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 3.377 -0.664 -1.046 0.00 0.00 +0.149 C BRANCH 18 19 ATOM 19 C LIG 1 4.667 -0.424 -0.330 0.00 0.00 +0.075 A ATOM 20 C LIG 1 4.921 0.953 0.189 0.00 0.00 +0.257 A ATOM 21 O LIG 1 4.088 1.849 0.081 0.00 0.00 -0.267 OA ATOM 22 N LIG 1 6.124 1.167 0.816 0.00 0.00 -0.326 N ATOM 23 H LIG 1 6.269 2.107 1.166 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 7.075 0.199 1.030 0.00 0.00 +0.019 A ATOM 25 C LIG 1 8.307 0.600 1.780 0.00 0.00 +0.063 C ATOM 26 C LIG 1 6.850 -1.042 0.574 0.00 0.00 +0.067 A ATOM 27 C LIG 1 5.636 -1.343 -0.153 0.00 0.00 +0.132 A BRANCH 27 28 ATOM 28 O LIG 1 5.506 -2.652 -0.562 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 6.156 -2.874 -1.815 0.00 0.00 +0.277 C ENDBRANCH 27 28 ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 3 14 BRANCH 1 30 ATOM 30 N LIG 1 -3.526 1.083 -0.116 0.00 0.00 -0.326 N BRANCH 30 31 ATOM 31 C LIG 1 -4.511 -0.027 -0.273 0.00 0.00 +0.078 C ATOM 32 C LIG 1 -5.685 0.035 0.704 0.00 0.00 +0.050 C ATOM 33 C LIG 1 -6.616 -1.157 0.494 0.00 0.00 +0.161 C ATOM 34 O LIG 1 -6.652 -1.629 -0.853 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -6.434 -0.604 -1.815 0.00 0.00 +0.161 C ATOM 36 C LIG 1 -4.998 -0.107 -1.728 0.00 0.00 +0.050 C ENDBRANCH 30 31 BRANCH 30 38 ATOM 37 C LIG 1 -4.746 3.140 -0.781 0.00 0.00 +0.024 C ATOM 38 C LIG 1 -3.966 2.425 0.310 0.00 0.00 +0.102 C ENDBRANCH 30 38 ENDBRANCH 1 30 TORSDOF 8