REMARK Name = BDB027373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.247 1.037 0.949 0.00 0.00 -0.021 A ATOM 2 C LIG 1 -0.295 0.985 -0.087 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -0.116 2.151 -0.833 0.00 0.00 +0.115 A ATOM 4 N LIG 1 -0.759 3.320 -0.614 0.00 0.00 -0.255 NA ATOM 5 C LIG 1 -1.649 3.375 0.400 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.917 2.254 1.185 0.00 0.00 +0.034 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.316 4.679 0.595 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.720 5.131 1.864 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -3.347 6.368 2.015 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -3.719 6.765 3.240 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -3.581 7.181 0.916 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -4.185 8.368 1.069 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -3.188 6.772 -0.349 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -2.559 5.532 -0.505 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 C LIG 1 0.502 -0.260 -0.442 0.00 0.00 +0.023 C ATOM 16 C LIG 1 2.030 -0.045 -0.322 0.00 0.00 +0.036 C ATOM 17 C LIG 1 2.874 -1.071 -1.126 0.00 0.00 +0.063 C ATOM 18 C LIG 1 2.083 -2.378 -1.364 0.00 0.00 +0.028 C ATOM 19 C LIG 1 0.752 -2.169 -2.099 0.00 0.00 +0.003 C ATOM 20 C LIG 1 0.091 -0.820 -1.809 0.00 0.00 +0.008 C BRANCH 17 21 ATOM 21 C LIG 1 4.210 -1.359 -0.420 0.00 0.00 +0.098 A ATOM 22 C LIG 1 4.257 -1.958 0.841 0.00 0.00 +0.146 A ATOM 23 F LIG 1 3.137 -2.296 1.493 0.00 0.00 -0.204 F ATOM 24 C LIG 1 5.486 -2.203 1.444 0.00 0.00 +0.043 A ATOM 25 C LIG 1 6.652 -1.843 0.778 0.00 0.00 +0.043 A ATOM 26 C LIG 1 6.528 -1.250 -0.467 0.00 0.00 +0.130 A ATOM 27 CL LIG 1 7.912 -0.772 -1.357 0.00 0.00 -0.062 Cl ATOM 28 N LIG 1 5.352 -0.998 -1.080 0.00 0.00 -0.235 NA ENDBRANCH 17 21 BRANCH 17 29 ATOM 29 N LIG 1 3.128 -0.471 -2.467 0.00 0.00 -0.320 NA ATOM 30 H LIG 1 3.682 -1.147 -3.001 0.00 0.00 +0.119 HD ATOM 31 H LIG 1 3.796 0.293 -2.327 0.00 0.00 +0.119 HD ENDBRANCH 17 29 ENDBRANCH 2 15 BRANCH 1 32 ATOM 32 C LIG 1 -1.608 -0.152 1.815 0.00 0.00 +0.160 C BRANCH 32 37 ATOM 33 C LIG 1 -3.067 -4.395 -0.007 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -3.134 -3.018 0.260 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -4.051 -2.044 -0.081 0.00 0.00 -0.231 NA ATOM 36 C LIG 1 -3.578 -0.936 0.449 0.00 0.00 +0.202 A ATOM 37 N LIG 1 -2.389 -1.145 1.099 0.00 0.00 -0.310 N ATOM 38 C LIG 1 -2.095 -2.478 1.000 0.00 0.00 +0.166 A ATOM 39 N LIG 1 -1.027 -3.126 1.495 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -1.067 -4.433 1.169 0.00 0.00 +0.225 A ATOM 41 N LIG 1 -2.001 -5.091 0.450 0.00 0.00 -0.219 NA BRANCH 33 42 ATOM 42 N LIG 1 -4.034 -5.076 -0.737 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -3.674 -5.927 -1.148 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -4.598 -4.470 -1.321 0.00 0.00 +0.144 HD ENDBRANCH 33 42 ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 7