REMARK Name = BDB025821 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.137 -1.598 -0.848 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.289 -0.485 -1.066 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.988 -0.660 -1.604 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.460 -1.943 -1.938 0.00 0.00 +0.024 A ATOM 5 C LIG 1 0.598 -3.029 -1.738 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.998 -4.272 -2.049 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.679 -2.869 -1.202 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.651 -1.648 3.368 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.715 -1.924 1.859 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.865 -1.258 1.198 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.158 -1.617 1.782 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.869 -1.500 -0.274 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.202 -0.169 -0.961 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.540 -2.077 -0.852 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.398 -1.376 -0.249 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.345 -1.495 1.233 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.820 -2.127 -2.469 0.00 0.00 +0.046 A ATOM 18 C LIG 1 3.968 -1.746 -1.759 0.00 0.00 +0.223 A ATOM 19 N LIG 1 5.233 -1.878 -2.224 0.00 0.00 -0.221 NA ATOM 20 C LIG 1 5.377 -2.414 -3.453 0.00 0.00 +0.114 A ATOM 21 C LIG 1 4.319 -2.831 -4.240 0.00 0.00 +0.021 A ATOM 22 C LIG 1 3.028 -2.684 -3.739 0.00 0.00 +0.015 A BRANCH 18 23 ATOM 23 O LIG 1 3.779 -1.247 -0.483 0.00 0.00 -0.473 OA BRANCH 23 24 ATOM 24 C LIG 1 4.886 -0.530 0.082 0.00 0.00 +0.175 C ATOM 25 C LIG 1 4.951 0.900 -0.488 0.00 0.00 +0.044 C ATOM 26 C LIG 1 4.108 1.873 0.329 0.00 0.00 +0.004 C ATOM 27 C LIG 1 4.599 1.975 1.774 0.00 0.00 +0.000 C ATOM 28 C LIG 1 5.252 0.689 2.282 0.00 0.00 +0.004 C ATOM 29 C LIG 1 4.659 -0.539 1.606 0.00 0.00 +0.044 C ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.834 0.769 -0.720 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.775 0.682 -0.342 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.256 2.009 -0.818 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.854 2.291 -1.245 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.138 3.091 -0.292 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -0.754 3.914 0.851 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -1.595 4.878 1.279 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -2.887 5.117 0.591 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -3.657 5.989 0.970 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.152 4.300 -0.480 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.032 4.470 -0.954 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.304 3.314 -0.920 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 0.549 3.635 1.538 0.00 0.00 +0.418 C ATOM 43 F LIG 1 0.703 2.320 1.835 0.00 0.00 -0.166 F ATOM 44 F LIG 1 1.619 4.027 0.808 0.00 0.00 -0.166 F ATOM 45 F LIG 1 0.641 4.297 2.726 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7