REMARK Name = BDB020483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.328 0.595 1.794 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.579 0.175 1.258 0.00 0.00 +0.010 A ATOM 3 C LIG 1 2.752 0.387 2.004 0.00 0.00 +0.072 A ATOM 4 N LIG 1 3.969 0.041 1.559 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 4.101 -0.547 0.340 0.00 0.00 +0.083 A ATOM 6 C LIG 1 3.011 -0.849 -0.464 0.00 0.00 +0.044 A ATOM 7 C LIG 1 2.660 0.987 3.252 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.437 1.382 3.793 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.747 -0.454 0.005 0.00 0.00 +0.022 A ATOM 10 C LIG 1 0.272 1.185 3.064 0.00 0.00 +0.011 A ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 -3.359 4.620 1.571 0.00 0.00 +0.132 C ATOM 12 N LIG 1 -3.169 3.309 0.976 0.00 0.00 -0.295 N ATOM 13 C LIG 1 -4.210 2.767 0.215 0.00 0.00 +0.271 C ATOM 14 O LIG 1 -5.315 3.312 0.133 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -3.930 1.460 -0.543 0.00 0.00 +0.354 C ATOM 16 F LIG 1 -3.701 1.696 -1.869 0.00 0.00 -0.211 F ATOM 17 N LIG 1 -2.799 0.745 0.020 0.00 0.00 -0.291 N ATOM 18 C LIG 1 -1.779 1.405 0.663 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -0.913 0.414 1.062 0.00 0.00 +0.095 A ATOM 20 N LIG 1 -1.369 -0.810 0.643 0.00 0.00 -0.232 NA ATOM 21 C LIG 1 -2.512 -0.599 0.014 0.00 0.00 +0.116 A ATOM 22 C LIG 1 -1.794 2.877 0.762 0.00 0.00 +0.163 C BRANCH 21 23 ATOM 23 C LIG 1 -3.337 -1.701 -0.593 0.00 0.00 +0.060 C ATOM 24 C LIG 1 -3.623 -1.515 -2.081 0.00 0.00 +0.039 C ATOM 25 C LIG 1 -4.351 -2.738 -2.639 0.00 0.00 +0.160 C ATOM 26 O LIG 1 -5.150 -3.419 -1.670 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -5.718 -2.551 -0.697 0.00 0.00 +0.160 C ATOM 28 C LIG 1 -4.621 -1.985 0.199 0.00 0.00 +0.039 C ENDBRANCH 21 23 ENDBRANCH 1 19 BRANCH 5 29 ATOM 29 C LIG 1 5.484 -0.818 -0.003 0.00 0.00 +0.038 A ATOM 30 C LIG 1 6.096 -0.567 -1.214 0.00 0.00 +0.118 A ATOM 31 N LIG 1 7.402 -0.937 -1.065 0.00 0.00 -0.274 N ATOM 32 C LIG 1 8.437 -0.889 -2.068 0.00 0.00 +0.172 C ATOM 33 N LIG 1 7.702 -1.364 0.175 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 6.537 -1.270 0.824 0.00 0.00 +0.144 A ENDBRANCH 5 29 BRANCH 6 35 ATOM 35 C LIG 1 3.110 -1.558 -1.780 0.00 0.00 +0.374 C ATOM 36 F LIG 1 4.003 -2.585 -1.801 0.00 0.00 -0.204 F ATOM 37 F LIG 1 3.456 -0.727 -2.803 0.00 0.00 -0.204 F ENDBRANCH 6 35 TORSDOF 4