REMARK Name = BDB028068 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.443 -1.279 1.166 0.00 0.00 +0.267 C ATOM 2 N LIG 1 0.808 -1.010 0.642 0.00 0.00 -0.280 N ATOM 3 H LIG 1 0.888 -0.079 0.240 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.816 -2.312 1.709 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -3.543 0.856 1.310 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -3.028 2.007 0.696 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -1.700 2.059 0.252 0.00 0.00 +0.046 A ATOM 8 N LIG 1 -0.882 0.990 0.417 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 -1.391 -0.125 1.017 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -2.693 -0.235 1.476 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 -1.098 3.275 -0.427 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -1.490 4.682 -0.044 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -1.899 4.130 -1.381 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 14 ATOM 14 C LIG 1 -4.979 0.799 1.779 0.00 0.00 +0.119 C BRANCH 14 22 ATOM 15 C LIG 1 -8.225 -1.752 0.520 0.00 0.00 +0.015 C ATOM 16 C LIG 1 -6.986 -1.612 -0.369 0.00 0.00 +0.069 C ATOM 17 C LIG 1 -7.230 -0.690 -1.557 0.00 0.00 +0.254 C ATOM 18 F LIG 1 -6.198 -0.831 -2.438 0.00 0.00 -0.205 F ATOM 19 F LIG 1 -8.343 -1.076 -2.231 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -7.341 0.774 -1.183 0.00 0.00 +0.091 C ATOM 21 C LIG 1 -6.133 1.194 -0.356 0.00 0.00 +0.090 C ATOM 22 N LIG 1 -5.973 0.317 0.808 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -5.779 -1.085 0.417 0.00 0.00 +0.093 C ENDBRANCH 14 22 ENDBRANCH 5 14 ENDBRANCH 1 9 BRANCH 2 24 ATOM 24 C LIG 1 1.932 -1.851 0.590 0.00 0.00 +0.034 A ATOM 25 C LIG 1 3.100 -1.326 0.012 0.00 0.00 +0.027 A ATOM 26 C LIG 1 4.296 -2.071 -0.109 0.00 0.00 -0.035 A ATOM 27 C LIG 1 4.260 -3.383 0.404 0.00 0.00 +0.004 A ATOM 28 C LIG 1 3.108 -3.919 0.982 0.00 0.00 +0.002 A ATOM 29 C LIG 1 1.947 -3.155 1.073 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 C LIG 1 5.656 -1.444 -0.754 0.00 0.00 +0.049 C ATOM 31 C LIG 1 6.401 -2.356 -1.779 0.00 0.00 +0.174 C ATOM 32 O LIG 1 5.895 -1.583 -2.895 0.00 0.00 -0.378 OA ATOM 33 C LIG 1 5.475 -0.529 -2.002 0.00 0.00 +0.174 C BRANCH 30 34 ATOM 34 C LIG 1 6.486 -0.871 0.409 0.00 0.00 +0.092 C BRANCH 34 35 ATOM 35 C LIG 1 7.768 -0.204 0.051 0.00 0.00 +0.134 A ATOM 36 N LIG 1 7.997 1.149 0.064 0.00 0.00 -0.320 N ATOM 37 C LIG 1 7.075 2.197 0.410 0.00 0.00 +0.151 C ATOM 38 C LIG 1 9.295 1.318 -0.307 0.00 0.00 +0.224 A ATOM 39 N LIG 1 9.844 0.147 -0.522 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 8.888 -0.810 -0.285 0.00 0.00 -0.135 NA ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 26 30 ENDBRANCH 2 24 TORSDOF 8