REMARK Name = BDB010926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.852 0.560 -0.388 0.00 0.00 -0.196 N ATOM 2 C LIG 1 0.422 1.029 -0.030 0.00 0.00 +0.280 A ATOM 3 O LIG 1 0.690 1.881 0.816 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 1.575 0.430 -0.743 0.00 0.00 +0.051 A ATOM 5 C LIG 1 1.370 -0.555 -1.700 0.00 0.00 +0.019 A ATOM 6 C LIG 1 2.451 -1.137 -2.384 0.00 0.00 +0.064 A ATOM 7 C LIG 1 3.752 -0.697 -2.076 0.00 0.00 +0.018 A ATOM 8 C LIG 1 3.978 0.296 -1.111 0.00 0.00 -0.032 A ATOM 9 C LIG 1 -0.015 -0.941 -1.942 0.00 0.00 +0.142 A ATOM 10 C LIG 1 2.880 0.856 -0.449 0.00 0.00 +0.019 A ATOM 11 N LIG 1 -1.035 -0.425 -1.338 0.00 0.00 -0.171 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.584 0.859 0.300 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -3.320 0.464 -0.209 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -2.089 1.035 0.186 0.00 0.00 +0.070 A ATOM 15 C LIG 1 -2.150 2.059 1.135 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -3.372 2.486 1.660 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.565 1.895 1.248 0.00 0.00 +0.005 A BRANCH 12 21 ATOM 18 C LIG 1 -8.562 1.724 -1.946 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -7.259 1.533 -1.197 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -6.325 0.409 -1.708 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -5.935 0.132 -0.206 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -7.337 0.754 0.137 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -5.890 -1.410 0.149 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.764 -1.972 1.390 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.643 -1.303 2.655 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -5.767 -3.319 1.195 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -5.892 -3.578 -0.085 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -5.964 -2.374 -0.747 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 2.248 -2.208 -3.422 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.639 -3.312 -2.912 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.467 -1.786 -4.452 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.404 -2.648 -3.990 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 5.389 0.748 -0.790 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.219 -0.331 -0.237 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 7.655 -0.018 -0.270 0.00 0.00 +0.093 C ATOM 36 C LIG 1 8.280 0.353 1.079 0.00 0.00 +0.069 C ATOM 37 C LIG 1 7.812 1.720 1.582 0.00 0.00 +0.015 C ATOM 38 C LIG 1 8.020 -0.779 2.073 0.00 0.00 +0.254 C ATOM 39 F LIG 1 9.099 -1.614 2.071 0.00 0.00 -0.205 F ATOM 40 F LIG 1 7.954 -0.280 3.336 0.00 0.00 -0.205 F ATOM 41 C LIG 1 6.790 -1.625 1.792 0.00 0.00 +0.091 C ATOM 42 C LIG 1 5.731 -0.816 1.062 0.00 0.00 +0.090 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6