REMARK Name = BDB034739 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.509 -4.335 1.769 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -1.883 -3.150 1.055 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.993 -2.262 0.440 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -1.736 -1.227 -0.125 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -1.131 -0.184 -0.800 0.00 0.00 +0.051 A ATOM 6 C LIG 1 0.275 -0.170 -0.897 0.00 0.00 +0.034 A ATOM 7 C LIG 1 1.004 -1.249 -0.342 0.00 0.00 +0.025 A ATOM 8 N LIG 1 -3.091 -1.481 0.132 0.00 0.00 -0.292 N ATOM 9 C LIG 1 0.378 -2.300 0.343 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -3.199 -2.672 0.887 0.00 0.00 +0.330 A ATOM 11 O LIG 1 -4.228 -3.179 1.306 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 0.877 0.875 -1.634 0.00 0.00 -0.298 N ATOM 13 H LIG 1 0.243 1.651 -1.799 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 2.223 1.321 -1.688 0.00 0.00 +0.147 A ATOM 15 C LIG 1 2.558 2.338 -2.578 0.00 0.00 +0.099 A ATOM 16 CL LIG 1 1.401 3.135 -3.572 0.00 0.00 -0.078 Cl ATOM 17 C LIG 1 3.884 2.712 -2.622 0.00 0.00 +0.138 A ATOM 18 N LIG 1 4.848 2.146 -1.868 0.00 0.00 -0.217 NA ATOM 19 C LIG 1 4.447 1.157 -1.038 0.00 0.00 +0.253 A ATOM 20 N LIG 1 3.168 0.734 -0.929 0.00 0.00 -0.194 NA BRANCH 19 21 ATOM 21 N LIG 1 5.448 0.515 -0.230 0.00 0.00 -0.205 N ATOM 22 N LIG 1 5.163 -0.505 0.629 0.00 0.00 -0.172 NA ATOM 23 C LIG 1 6.336 -0.820 1.179 0.00 0.00 +0.147 A ATOM 24 C LIG 1 7.400 -0.032 0.701 0.00 0.00 +0.093 A ATOM 25 C LIG 1 6.796 0.818 -0.207 0.00 0.00 +0.130 A BRANCH 24 26 ATOM 26 C LIG 1 8.822 -0.120 1.100 0.00 0.00 +0.420 C ATOM 27 F LIG 1 9.040 -1.100 2.013 0.00 0.00 -0.166 F ATOM 28 F LIG 1 9.262 1.038 1.651 0.00 0.00 -0.166 F ATOM 29 F LIG 1 9.626 -0.384 0.039 0.00 0.00 -0.166 F ENDBRANCH 24 26 ENDBRANCH 19 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 8 30 ATOM 30 C LIG 1 -4.199 -0.627 -0.216 0.00 0.00 +0.130 C BRANCH 30 31 ATOM 31 C LIG 1 -4.391 0.505 0.798 0.00 0.00 +0.056 C BRANCH 31 32 ATOM 32 C LIG 1 -5.621 1.400 0.546 0.00 0.00 +0.062 C ATOM 33 C LIG 1 -5.615 2.559 1.549 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -5.678 1.957 -0.878 0.00 0.00 +0.041 C BRANCH 32 35 ATOM 35 O LIG 1 -6.820 0.664 0.793 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 -6.895 -0.061 0.151 0.00 0.00 +0.210 HD ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 8