REMARK Name = BDB025996 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.071 0.601 -1.642 0.00 0.00 +0.016 A ATOM 2 C LIG 1 0.625 1.845 -1.177 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.388 2.939 -1.324 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.620 1.999 -0.570 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.459 0.896 -0.402 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.022 -0.369 -0.863 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.228 -0.510 -1.472 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.734 0.990 0.196 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.774 1.563 -0.687 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.595 2.723 -0.055 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.856 4.065 -0.160 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.030 2.539 1.353 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.441 2.147 1.414 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.181 1.581 2.112 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.150 1.990 3.588 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.726 1.485 1.584 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 6.032 0.687 -1.338 0.00 0.00 +0.403 C ATOM 18 N LIG 1 4.861 0.595 -2.070 0.00 0.00 -0.263 N ATOM 19 C LIG 1 3.583 1.045 -1.521 0.00 0.00 +0.146 C ATOM 20 C LIG 1 2.407 0.440 -2.263 0.00 0.00 -0.024 C ATOM 21 C LIG 1 2.539 -0.240 -3.419 0.00 0.00 -0.020 C ATOM 22 C LIG 1 3.871 -0.447 -4.076 0.00 0.00 +0.046 C ATOM 23 C LIG 1 4.950 0.480 -3.518 0.00 0.00 +0.115 C ATOM 24 O LIG 1 7.149 0.496 -1.805 0.00 0.00 -0.226 OA BRANCH 17 25 ATOM 25 O LIG 1 5.807 1.012 -0.035 0.00 0.00 -0.450 OA BRANCH 25 26 ATOM 26 C LIG 1 6.967 1.084 0.808 0.00 0.00 +0.236 C BRANCH 26 28 ATOM 27 C LIG 1 6.187 -0.894 2.179 0.00 0.00 +0.010 C ATOM 28 C LIG 1 7.333 -0.302 1.356 0.00 0.00 +0.021 C ATOM 29 C LIG 1 8.607 -0.225 2.194 0.00 0.00 +0.010 C ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 17 25 ENDBRANCH 1 20 BRANCH 6 30 ATOM 30 N LIG 1 -1.920 -1.434 -0.636 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.753 -1.119 -0.139 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.792 -2.749 -1.001 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.889 -3.256 -1.654 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.957 -3.581 -0.578 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.346 -3.812 0.811 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.406 -4.603 1.074 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.176 -5.232 -0.027 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.152 -5.933 0.204 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.723 -4.970 -1.295 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -5.234 -5.415 -2.049 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.638 -4.175 -1.572 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.538 -3.195 1.909 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.872 -3.685 3.132 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.208 -3.398 1.763 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.742 -1.854 1.973 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 8