REMARK Name = BDB057824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.650 0.411 -0.116 0.00 0.00 +0.163 A ATOM 2 N LIG 1 -4.182 1.483 0.481 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 -3.339 2.360 1.031 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.949 2.194 1.003 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -1.119 3.184 1.589 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -1.669 4.306 2.206 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.049 4.454 2.242 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.493 1.024 0.368 0.00 0.00 +0.131 A ATOM 9 C LIG 1 -3.865 3.485 1.655 0.00 0.00 +0.028 A ATOM 10 N LIG 1 -2.337 0.152 -0.207 0.00 0.00 -0.212 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -5.808 -0.929 -0.175 0.00 0.00 +0.065 A ATOM 12 C LIG 1 -4.575 -0.540 -0.754 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -4.232 -1.089 -2.010 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -5.078 -1.971 -2.685 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.295 -2.327 -2.120 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.657 -1.812 -0.878 0.00 0.00 +0.013 A BRANCH 11 18 ATOM 17 F LIG 1 -5.260 -0.466 2.130 0.00 0.00 -0.166 F ATOM 18 C LIG 1 -6.246 -0.440 1.190 0.00 0.00 +0.418 C ATOM 19 F LIG 1 -7.242 -1.216 1.720 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -6.758 0.821 1.180 0.00 0.00 -0.166 F ENDBRANCH 11 18 ENDBRANCH 1 12 BRANCH 8 21 ATOM 21 N LIG 1 -0.106 0.772 0.298 0.00 0.00 -0.324 N ATOM 22 H LIG 1 0.290 0.832 1.232 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.257 -0.489 -0.338 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 1.760 -0.647 -0.277 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.588 0.159 -1.067 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.979 0.026 -1.007 0.00 0.00 +0.009 A ATOM 27 C LIG 1 4.580 -0.913 -0.154 0.00 0.00 -0.018 A ATOM 28 C LIG 1 3.741 -1.713 0.638 0.00 0.00 +0.009 A ATOM 29 C LIG 1 2.350 -1.581 0.582 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 6.044 -1.053 -0.091 0.00 0.00 -0.018 A ATOM 31 C LIG 1 6.868 0.059 0.157 0.00 0.00 +0.010 A ATOM 32 C LIG 1 8.259 -0.072 0.219 0.00 0.00 +0.020 A ATOM 33 C LIG 1 8.844 -1.321 0.030 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 10.555 -1.485 0.105 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 8.051 -2.438 -0.218 0.00 0.00 +0.020 A ATOM 36 C LIG 1 6.660 -2.303 -0.278 0.00 0.00 +0.010 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 8 21 TORSDOF 6