REMARK Name = BDB024007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.373 0.319 0.795 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -0.161 -0.425 1.951 0.00 0.00 +0.134 A ATOM 3 F LIG 1 1.075 -0.831 2.263 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.210 -0.767 2.799 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.507 -0.362 2.493 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.756 0.391 1.339 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.683 0.721 0.495 0.00 0.00 +0.018 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 5.291 -0.291 -1.034 0.00 0.00 +0.221 C ATOM 9 N LIG 1 3.965 -0.180 -0.616 0.00 0.00 -0.300 N ATOM 10 C LIG 1 3.482 0.252 0.700 0.00 0.00 +0.115 C ATOM 11 C LIG 1 2.397 1.312 0.607 0.00 0.00 +0.093 C ATOM 12 P LIG 1 0.946 0.741 -0.293 0.00 0.00 +0.122 P ATOM 13 O LIG 1 0.580 1.761 -1.347 0.00 0.00 -0.316 OA ATOM 14 C LIG 1 1.562 -0.754 -1.082 0.00 0.00 +0.093 C ATOM 15 C LIG 1 2.952 -0.509 -1.636 0.00 0.00 +0.115 C ATOM 16 O LIG 1 5.521 -0.592 -2.214 0.00 0.00 -0.275 OA BRANCH 8 18 ATOM 17 C LIG 1 6.628 1.446 0.279 0.00 0.00 +0.020 C ATOM 18 C LIG 1 6.492 -0.041 -0.079 0.00 0.00 +0.039 C ATOM 19 C LIG 1 6.451 -0.946 1.162 0.00 0.00 +0.020 C ATOM 20 C LIG 1 7.790 -0.422 -0.846 0.00 0.00 +0.020 C ENDBRANCH 8 18 ENDBRANCH 1 12 BRANCH 6 21 ATOM 21 C LIG 1 -4.163 0.814 0.983 0.00 0.00 +0.093 C BRANCH 21 22 ATOM 22 C LIG 1 -4.960 -0.202 0.169 0.00 0.00 +0.074 A ATOM 23 C LIG 1 -6.309 0.192 -0.319 0.00 0.00 +0.011 A ATOM 24 C LIG 1 -7.021 -0.746 -1.063 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -8.297 -0.446 -1.558 0.00 0.00 +0.014 A ATOM 26 C LIG 1 -8.863 0.802 -1.303 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -8.157 1.744 -0.555 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -6.421 -2.064 -1.321 0.00 0.00 +0.272 A ATOM 29 O LIG 1 -7.010 -2.920 -1.970 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 -5.173 -2.271 -0.788 0.00 0.00 -0.242 N ATOM 31 H LIG 1 -4.739 -3.174 -0.956 0.00 0.00 +0.192 HD ATOM 32 C LIG 1 -6.884 1.444 -0.062 0.00 0.00 +0.010 A ATOM 33 N LIG 1 -4.451 -1.377 -0.063 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 6 21 TORSDOF 4