REMARK Name = BDB026149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.175 -0.822 -0.479 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.697 0.264 -0.224 0.00 0.00 +0.056 A ATOM 3 C LIG 1 2.082 0.107 -0.339 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.640 -1.126 -0.723 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.756 -2.187 -0.976 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.230 -3.385 -1.352 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.373 -2.047 -0.858 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 4.099 -1.288 -0.852 0.00 0.00 +0.003 A ATOM 9 C LIG 1 4.776 -2.378 -0.278 0.00 0.00 +0.017 A ATOM 10 C LIG 1 6.145 -2.461 -0.444 0.00 0.00 +0.002 A ATOM 11 C LIG 1 7.127 -3.479 0.037 0.00 0.00 +0.134 C ATOM 12 C LIG 1 8.446 -2.929 -0.518 0.00 0.00 +0.223 C ATOM 13 N LIG 1 8.155 -1.762 -1.201 0.00 0.00 -0.270 N ATOM 14 H LIG 1 8.829 -1.181 -1.671 0.00 0.00 +0.156 HD ATOM 15 O LIG 1 9.551 -3.427 -0.384 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 6.805 -1.479 -1.163 0.00 0.00 +0.129 A ATOM 17 N LIG 1 6.233 -0.422 -1.733 0.00 0.00 -0.239 NA ATOM 18 C LIG 1 4.885 -0.355 -1.559 0.00 0.00 +0.121 A ENDBRANCH 4 8 BRANCH 1 26 ATOM 19 C LIG 1 -4.801 -1.213 -2.210 0.00 0.00 +0.026 C ATOM 20 C LIG 1 -3.837 -0.443 -1.298 0.00 0.00 +0.071 C ATOM 21 N LIG 1 -4.281 -0.281 0.105 0.00 0.00 -0.297 NA ATOM 22 C LIG 1 -5.705 -0.086 0.313 0.00 0.00 +0.105 C ATOM 23 C LIG 1 -3.618 -1.166 1.078 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -4.093 -2.626 1.011 0.00 0.00 +0.026 C ATOM 25 C LIG 1 -2.055 -1.092 1.000 0.00 0.00 +0.123 C ATOM 26 N LIG 1 -1.564 -0.615 -0.320 0.00 0.00 -0.325 N ATOM 27 C LIG 1 -2.406 -1.053 -1.444 0.00 0.00 +0.123 C ENDBRANCH 1 26 BRANCH 2 28 ATOM 28 N LIG 1 0.063 1.476 0.123 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -0.953 1.380 0.142 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 0.635 2.698 0.362 0.00 0.00 +0.250 C ATOM 31 O LIG 1 1.820 2.995 0.322 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -0.383 3.741 0.661 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -1.009 3.899 1.968 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -1.930 4.868 2.142 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -2.305 5.766 1.021 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -3.148 6.641 1.166 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -1.648 5.546 -0.164 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -1.893 6.169 -0.926 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -0.707 4.564 -0.349 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -0.585 2.993 3.081 0.00 0.00 +0.418 C ATOM 41 F LIG 1 0.752 3.018 3.294 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.930 1.704 2.837 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.169 3.323 4.264 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5