REMARK Name = BDB027374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.069 0.144 1.100 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.049 0.188 0.255 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.260 1.389 -0.430 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.523 2.491 -0.342 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.615 2.425 0.455 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.902 1.276 1.190 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.461 3.637 0.491 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.856 3.571 0.685 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -4.639 4.729 0.719 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -4.039 5.970 0.555 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -4.790 7.078 0.588 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -2.671 6.074 0.353 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -1.890 4.915 0.318 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 14 ATOM 14 N LIG 1 0.913 -0.919 0.156 0.00 0.00 -0.326 N ATOM 15 C LIG 1 2.063 -0.810 1.099 0.00 0.00 +0.133 C ATOM 16 C LIG 1 3.410 -1.407 0.557 0.00 0.00 +0.075 C ATOM 17 C LIG 1 3.055 -2.759 -0.115 0.00 0.00 +0.031 C ATOM 18 C LIG 1 1.992 -2.644 -1.218 0.00 0.00 +0.021 C ATOM 19 C LIG 1 1.239 -1.315 -1.222 0.00 0.00 +0.105 C BRANCH 16 20 ATOM 20 C LIG 1 4.156 -0.453 -0.404 0.00 0.00 +0.063 A ATOM 21 N LIG 1 4.704 -0.996 -1.526 0.00 0.00 -0.249 NA ATOM 22 C LIG 1 5.385 -0.185 -2.386 0.00 0.00 +0.107 A ATOM 23 C LIG 1 5.561 1.167 -2.142 0.00 0.00 +0.147 A ATOM 24 F LIG 1 6.252 1.940 -2.989 0.00 0.00 -0.204 F ATOM 25 C LIG 1 5.032 1.718 -0.987 0.00 0.00 +0.042 A ATOM 26 C LIG 1 4.327 0.902 -0.103 0.00 0.00 +0.028 A BRANCH 22 27 ATOM 27 C LIG 1 5.950 -0.793 -3.638 0.00 0.00 +0.271 C ATOM 28 F LIG 1 5.393 -0.288 -4.776 0.00 0.00 -0.242 F ENDBRANCH 22 27 ENDBRANCH 16 20 BRANCH 16 29 ATOM 29 N LIG 1 4.314 -1.727 1.695 0.00 0.00 -0.319 NA ATOM 30 H LIG 1 5.142 -2.191 1.315 0.00 0.00 +0.119 HD ATOM 31 H LIG 1 4.650 -0.867 2.123 0.00 0.00 +0.119 HD ENDBRANCH 16 29 ENDBRANCH 2 14 BRANCH 1 32 ATOM 32 C LIG 1 -1.449 -1.098 1.867 0.00 0.00 +0.161 C BRANCH 32 37 ATOM 33 C LIG 1 -5.573 -3.000 0.186 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -4.182 -2.849 0.319 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -3.114 -3.513 -0.252 0.00 0.00 -0.231 NA ATOM 36 C LIG 1 -2.049 -2.929 0.257 0.00 0.00 +0.202 A ATOM 37 N LIG 1 -2.380 -1.915 1.115 0.00 0.00 -0.310 N ATOM 38 C LIG 1 -3.745 -1.847 1.171 0.00 0.00 +0.166 A ATOM 39 N LIG 1 -4.503 -1.000 1.889 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -5.814 -1.236 1.675 0.00 0.00 +0.225 A ATOM 41 N LIG 1 -6.383 -2.162 0.872 0.00 0.00 -0.219 NA BRANCH 33 42 ATOM 42 N LIG 1 -6.160 -3.958 -0.632 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -7.098 -3.700 -0.906 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -5.535 -4.304 -1.352 0.00 0.00 +0.144 HD ENDBRANCH 33 42 ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 8