REMARK Name = BDB027341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.676 -1.289 0.355 0.00 0.00 +0.074 A ATOM 2 N LIG 1 2.067 -2.031 -0.595 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.811 -1.678 -0.965 0.00 0.00 +0.134 A ATOM 4 C LIG 1 0.071 -0.615 -0.440 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.727 0.160 0.531 0.00 0.00 -0.003 A ATOM 6 C LIG 1 2.030 -0.200 0.936 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.659 -2.605 1.409 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.675 -3.509 1.001 0.00 0.00 +0.166 A ATOM 9 F LIG 1 5.953 -4.820 0.932 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.391 -3.083 0.660 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.037 -1.724 0.720 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.042 -0.831 1.125 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.796 0.488 1.182 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.332 -1.254 1.466 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.909 -2.248 2.107 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.877 -3.146 1.718 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.220 -0.329 -0.863 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.332 -0.504 0.100 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.512 -1.312 -0.521 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.002 -0.615 -1.815 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -2.924 0.203 -2.537 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -1.518 -0.332 -2.299 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.025 -2.677 -0.908 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -2.021 -2.613 -1.081 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.084 -3.254 -0.058 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.680 -1.527 0.492 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.275 -0.248 1.095 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.310 -0.602 1.908 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -4.375 0.374 1.894 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -4.211 -2.401 1.553 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -4.902 -2.394 2.244 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 0.117 1.410 1.129 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -0.190 2.432 0.141 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -1.322 3.202 0.120 0.00 0.00 +0.166 A ATOM 35 C LIG 1 -1.160 4.043 -0.969 0.00 0.00 +0.147 A ATOM 36 C LIG 1 -2.207 4.942 -1.232 0.00 0.00 +0.147 A ATOM 37 N LIG 1 -3.295 4.921 -0.428 0.00 0.00 -0.219 NA ATOM 38 C LIG 1 -3.305 4.061 0.613 0.00 0.00 +0.225 A ATOM 39 N LIG 1 0.045 3.807 -1.599 0.00 0.00 -0.231 NA ATOM 40 N LIG 1 -2.367 3.159 0.963 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 0.608 2.847 -0.894 0.00 0.00 +0.202 A BRANCH 36 42 ATOM 42 N LIG 1 -2.188 5.842 -2.289 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -1.530 5.596 -3.020 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -3.113 6.145 -2.560 0.00 0.00 +0.144 HD ENDBRANCH 36 42 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10