REMARK Name = BDB041077 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.808 -0.697 -1.671 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -2.558 -0.563 -1.188 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.562 -0.292 -2.053 0.00 0.00 +0.135 A ATOM 4 C LIG 1 -1.803 -0.181 -3.409 0.00 0.00 +0.112 A ATOM 5 C LIG 1 -3.111 -0.354 -3.812 0.00 0.00 +0.129 A ATOM 6 N LIG 1 -4.127 -0.609 -2.972 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -5.127 -0.336 0.489 0.00 0.00 -0.034 A ATOM 8 C LIG 1 -4.887 -1.032 -0.727 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -5.731 -2.121 -1.047 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -6.753 -2.540 -0.196 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -6.960 -1.878 1.004 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -6.157 -0.790 1.343 0.00 0.00 +0.004 A BRANCH 7 14 ATOM 13 C LIG 1 -3.373 0.551 2.061 0.00 0.00 +0.012 C ATOM 14 C LIG 1 -4.315 0.890 0.904 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.202 2.090 1.263 0.00 0.00 +0.012 C ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 4 16 ATOM 16 C LIG 1 -0.732 0.066 -4.407 0.00 0.00 +0.422 C ATOM 17 F LIG 1 0.153 1.030 -4.020 0.00 0.00 -0.166 F ATOM 18 F LIG 1 0.009 -1.040 -4.688 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -1.216 0.492 -5.611 0.00 0.00 -0.166 F ENDBRANCH 4 16 BRANCH 3 20 ATOM 20 N LIG 1 -0.254 -0.189 -1.563 0.00 0.00 -0.324 N ATOM 21 H LIG 1 0.206 0.654 -1.905 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -0.119 -0.297 -0.113 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 C LIG 1 1.342 -0.150 0.247 0.00 0.00 -0.030 A ATOM 24 C LIG 1 2.246 -1.184 -0.034 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.601 -1.052 0.285 0.00 0.00 +0.012 A ATOM 26 C LIG 1 4.081 0.124 0.876 0.00 0.00 +0.017 A ATOM 27 C LIG 1 3.174 1.149 1.170 0.00 0.00 +0.012 A ATOM 28 C LIG 1 1.819 1.020 0.852 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 5.493 0.296 1.223 0.00 0.00 +0.141 A ATOM 30 N LIG 1 6.564 0.072 0.383 0.00 0.00 -0.333 N ATOM 31 C LIG 1 6.516 -0.301 -1.011 0.00 0.00 +0.150 C ATOM 32 C LIG 1 7.716 0.336 1.075 0.00 0.00 +0.119 A ATOM 33 C LIG 1 7.315 0.757 2.330 0.00 0.00 +0.162 A ATOM 34 N LIG 1 5.929 0.741 2.389 0.00 0.00 -0.224 NA BRANCH 33 35 ATOM 35 C LIG 1 8.163 1.189 3.490 0.00 0.00 +0.436 C ATOM 36 F LIG 1 9.490 1.181 3.177 0.00 0.00 -0.164 F ATOM 37 F LIG 1 7.877 2.452 3.902 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.020 0.375 4.569 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 8