REMARK Name = BDB046218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.350 1.830 2.637 0.00 0.00 +0.069 C ATOM 2 C LIG 1 -1.268 1.512 1.525 0.00 0.00 +0.083 A ATOM 3 C LIG 1 -0.991 0.948 0.296 0.00 0.00 +0.166 A ATOM 4 O LIG 1 -2.171 0.849 -0.392 0.00 0.00 -0.437 OA ATOM 5 C LIG 1 -3.111 1.353 0.469 0.00 0.00 +0.228 A ATOM 6 N LIG 1 -2.618 1.767 1.620 0.00 0.00 -0.214 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.495 1.370 0.000 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -4.863 0.864 -1.255 0.00 0.00 +0.014 A ATOM 9 C LIG 1 -6.197 0.893 -1.676 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -7.195 1.437 -0.854 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -6.832 1.936 0.405 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -5.497 1.905 0.823 0.00 0.00 +0.014 A BRANCH 10 13 ATOM 13 C LIG 1 -8.637 1.449 -1.298 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -9.311 0.335 -0.899 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -9.339 2.508 -0.806 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -8.780 1.507 -2.652 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 3 17 ATOM 17 C LIG 1 0.236 0.486 -0.391 0.00 0.00 +0.305 C BRANCH 17 18 ATOM 18 O LIG 1 1.003 -0.240 0.567 0.00 0.00 -0.484 OA BRANCH 18 19 ATOM 19 C LIG 1 2.190 -0.769 0.144 0.00 0.00 +0.121 A ATOM 20 C LIG 1 2.752 -0.625 -1.124 0.00 0.00 +0.046 A ATOM 21 C LIG 1 3.983 -1.221 -1.420 0.00 0.00 +0.007 A ATOM 22 C LIG 1 4.666 -1.970 -0.453 0.00 0.00 -0.047 A ATOM 23 C LIG 1 4.097 -2.113 0.817 0.00 0.00 +0.007 A ATOM 24 C LIG 1 2.871 -1.514 1.110 0.00 0.00 +0.046 A BRANCH 22 25 ATOM 25 C LIG 1 6.009 -2.586 -0.767 0.00 0.00 +0.046 C BRANCH 25 26 ATOM 26 C LIG 1 7.143 -1.570 -0.701 0.00 0.00 +0.125 C BRANCH 26 27 ATOM 27 C LIG 1 7.542 -1.272 0.721 0.00 0.00 +0.305 C ATOM 28 O LIG 1 8.442 -1.854 1.307 0.00 0.00 -0.251 OA BRANCH 27 29 ATOM 29 O LIG 1 6.803 -0.305 1.306 0.00 0.00 -0.481 OA ATOM 30 H LIG 1 6.069 0.024 0.751 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 TORSDOF 9