REMARK Name = BDB035546 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.477 -0.254 0.925 0.00 0.00 -0.032 A ATOM 2 C LIG 1 0.218 -0.016 0.317 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.007 -0.360 0.910 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -0.966 -0.975 2.167 0.00 0.00 +0.023 A ATOM 5 C LIG 1 0.249 -1.225 2.804 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.448 -0.866 2.191 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.253 -0.100 0.274 0.00 0.00 -0.263 N ATOM 8 C LIG 1 -2.444 0.534 -0.959 0.00 0.00 +0.251 C ATOM 9 O LIG 1 -1.651 1.002 -1.754 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -3.892 0.573 -1.201 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.574 1.093 -2.285 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -5.966 1.004 -2.273 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.636 0.404 -1.190 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -5.927 -0.121 -0.092 0.00 0.00 +0.060 A ATOM 15 C LIG 1 -4.538 -0.022 -0.123 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -3.525 -0.476 0.876 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 -6.631 -0.765 1.071 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -6.250 -2.061 1.248 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -6.358 -0.138 2.248 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -7.986 -0.781 0.957 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 23 ATOM 21 C LIG 1 4.505 1.574 0.214 0.00 0.00 +0.120 C ATOM 22 C LIG 1 2.999 1.702 -0.104 0.00 0.00 +0.051 C ATOM 23 C LIG 1 2.842 0.168 0.190 0.00 0.00 +0.060 C ATOM 24 C LIG 1 4.151 0.315 1.037 0.00 0.00 +0.051 C BRANCH 23 25 ATOM 25 C LIG 1 3.090 -0.734 -1.100 0.00 0.00 +0.144 A ATOM 26 N LIG 1 3.092 -2.100 -1.187 0.00 0.00 -0.320 N ATOM 27 C LIG 1 2.865 -3.059 -0.141 0.00 0.00 +0.151 C ATOM 28 C LIG 1 3.377 -2.396 -2.484 0.00 0.00 +0.224 A ATOM 29 N LIG 1 3.560 -1.285 -3.158 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 3.379 -0.238 -2.287 0.00 0.00 -0.134 NA ENDBRANCH 23 25 BRANCH 21 32 ATOM 31 C LIG 1 5.367 3.837 0.237 0.00 0.00 +0.194 C ATOM 32 O LIG 1 5.097 2.651 0.972 0.00 0.00 -0.380 OA ENDBRANCH 21 32 ENDBRANCH 1 23 TORSDOF 5