REMARK Name = BDB027370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.071 -0.004 0.607 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.149 0.548 0.179 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.183 1.937 0.033 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.845 2.782 0.287 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.005 2.244 0.726 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.143 0.866 0.895 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.094 3.207 0.999 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.195 4.402 0.257 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -4.217 5.326 0.493 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -5.153 5.068 1.483 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -6.134 5.951 1.714 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -5.084 3.908 2.241 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -4.059 2.985 2.002 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 14 ATOM 14 N LIG 1 1.240 -0.279 -0.112 0.00 0.00 -0.326 N ATOM 15 C LIG 1 2.558 0.119 0.445 0.00 0.00 +0.133 C ATOM 16 C LIG 1 3.712 -0.827 -0.053 0.00 0.00 +0.075 C ATOM 17 C LIG 1 3.787 -0.692 -1.600 0.00 0.00 +0.031 C ATOM 18 C LIG 1 2.455 -0.327 -2.268 0.00 0.00 +0.021 C ATOM 19 C LIG 1 1.236 -0.807 -1.490 0.00 0.00 +0.105 C BRANCH 16 20 ATOM 20 C LIG 1 5.051 -0.441 0.609 0.00 0.00 +0.063 A ATOM 21 N LIG 1 5.007 0.316 1.737 0.00 0.00 -0.255 NA ATOM 22 C LIG 1 6.182 0.624 2.341 0.00 0.00 +0.149 A ATOM 23 C LIG 1 7.412 0.199 1.879 0.00 0.00 +0.141 A ATOM 24 F LIG 1 8.538 0.534 2.520 0.00 0.00 -0.204 F ATOM 25 C LIG 1 7.460 -0.587 0.742 0.00 0.00 +0.042 A ATOM 26 C LIG 1 6.267 -0.919 0.100 0.00 0.00 +0.028 A ENDBRANCH 16 20 BRANCH 16 27 ATOM 27 N LIG 1 3.385 -2.244 0.277 0.00 0.00 -0.319 NA ATOM 28 H LIG 1 3.148 -2.282 1.269 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 4.210 -2.826 0.157 0.00 0.00 +0.119 HD ENDBRANCH 16 27 ENDBRANCH 2 14 BRANCH 1 30 ATOM 30 C LIG 1 -1.200 -1.492 0.857 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -4.621 -3.228 -2.110 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -4.041 -2.861 -0.884 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -4.499 -2.920 0.418 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -3.508 -2.447 1.143 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -2.450 -2.048 0.367 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -2.764 -2.323 -0.936 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -2.016 -2.116 -2.031 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -2.678 -2.491 -3.143 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -3.918 -3.018 -3.246 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -5.892 -3.778 -2.217 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -6.292 -3.632 -3.134 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -6.478 -3.590 -1.411 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 7