REMARK Name = BDB025648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.609 0.423 -0.440 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.655 0.971 -0.100 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.796 2.339 0.166 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.304 3.211 0.102 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -1.542 2.650 -0.245 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -2.635 3.426 -0.311 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.698 1.289 -0.512 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.349 -2.479 -2.992 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.881 -1.797 -1.694 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.150 -2.638 -0.489 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.589 -2.863 -0.306 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.542 -2.000 0.719 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -2.724 -2.847 1.989 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -1.018 -1.757 0.540 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -0.700 -0.961 -0.663 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -1.375 -1.442 -1.881 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 -0.156 4.646 0.386 0.00 0.00 +0.021 A ATOM 18 C LIG 1 0.610 5.139 1.433 0.00 0.00 +0.124 A ATOM 19 N LIG 1 0.770 6.450 1.723 0.00 0.00 -0.226 NA ATOM 20 C LIG 1 0.125 7.311 0.914 0.00 0.00 +0.232 A ATOM 21 N LIG 1 -0.647 6.968 -0.133 0.00 0.00 -0.226 NA ATOM 22 C LIG 1 -0.766 5.641 -0.365 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 C LIG 1 0.273 8.715 1.193 0.00 0.00 +0.140 C ATOM 24 N LIG 1 0.392 9.852 1.418 0.00 0.00 -0.188 NA ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 25 ATOM 25 N LIG 1 1.732 0.056 -0.085 0.00 0.00 -0.280 N ATOM 26 H LIG 1 1.437 -0.883 -0.347 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 3.055 0.305 0.180 0.00 0.00 +0.250 C ATOM 28 O LIG 1 3.572 1.374 0.474 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 3.901 -0.912 0.038 0.00 0.00 +0.065 A ATOM 30 C LIG 1 3.931 -1.996 1.013 0.00 0.00 +0.073 A ATOM 31 C LIG 1 4.744 -3.050 0.799 0.00 0.00 +0.083 A ATOM 32 C LIG 1 5.599 -3.113 -0.412 0.00 0.00 +0.249 A ATOM 33 O LIG 1 6.330 -4.072 -0.622 0.00 0.00 -0.268 OA ATOM 34 N LIG 1 5.510 -2.039 -1.262 0.00 0.00 -0.328 N ATOM 35 H LIG 1 6.107 -2.073 -2.080 0.00 0.00 +0.168 HD ATOM 36 C LIG 1 4.690 -0.958 -1.047 0.00 0.00 +0.099 A BRANCH 30 37 ATOM 37 C LIG 1 3.076 -1.888 2.236 0.00 0.00 +0.418 C ATOM 38 F LIG 1 3.325 -2.881 3.130 0.00 0.00 -0.166 F ATOM 39 F LIG 1 1.758 -1.982 1.925 0.00 0.00 -0.166 F ATOM 40 F LIG 1 3.251 -0.720 2.897 0.00 0.00 -0.166 F ENDBRANCH 30 37 ENDBRANCH 27 29 ENDBRANCH 2 25 TORSDOF 6