REMARK Name = BDB025860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.191 -1.159 -0.374 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.499 0.021 -0.015 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.894 0.017 0.108 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.638 -1.157 -0.114 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.929 -2.317 -0.467 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.582 -3.470 -0.682 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.459 -2.326 -0.598 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.952 -3.886 0.742 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.222 -3.046 -0.314 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.190 -2.410 -1.248 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.803 -3.384 -2.154 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.582 -1.290 -2.019 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.258 0.011 -1.569 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.037 -1.187 -1.909 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.601 -1.101 -0.498 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.331 -2.004 0.426 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.107 -1.156 0.023 0.00 0.00 -0.012 A ATOM 18 C LIG 1 3.732 -0.592 1.143 0.00 0.00 +0.048 A ATOM 19 C LIG 1 5.124 -0.588 1.269 0.00 0.00 +0.145 A ATOM 20 F LIG 1 5.640 0.005 2.358 0.00 0.00 -0.204 F ATOM 21 C LIG 1 5.963 -1.143 0.288 0.00 0.00 +0.066 A ATOM 22 C LIG 1 5.331 -1.700 -0.834 0.00 0.00 +0.026 A ATOM 23 C LIG 1 3.935 -1.710 -0.964 0.00 0.00 +0.010 A BRANCH 21 24 ATOM 24 N LIG 1 7.369 -1.169 0.341 0.00 0.00 -0.323 N ATOM 25 C LIG 1 7.978 -0.232 -0.637 0.00 0.00 +0.133 C ATOM 26 C LIG 1 9.460 0.003 -0.304 0.00 0.00 +0.178 C ATOM 27 O LIG 1 9.668 0.591 0.990 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 8.662 0.218 1.950 0.00 0.00 +0.178 C ATOM 29 C LIG 1 8.031 -1.153 1.666 0.00 0.00 +0.133 C ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.312 1.153 0.202 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.298 0.941 0.052 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.935 2.406 0.611 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.188 2.796 0.899 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.098 3.328 0.746 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.835 3.867 -0.384 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.872 4.693 -0.150 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.275 5.059 1.234 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -5.238 5.801 1.393 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.500 4.515 2.254 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -3.811 4.843 3.638 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -2.432 3.670 2.000 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -2.395 3.518 -1.771 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.632 2.211 -2.053 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.060 4.232 -2.718 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.076 3.743 -1.976 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6