REMARK Name = BDB024036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.473 0.196 -0.954 0.00 0.00 +0.047 A ATOM 2 C LIG 1 0.810 -1.011 -1.556 0.00 0.00 +0.134 A ATOM 3 F LIG 1 2.090 -1.397 -1.609 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.157 -1.846 -2.108 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.500 -1.476 -2.061 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.875 -0.266 -1.464 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.882 0.558 -0.910 0.00 0.00 +0.018 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 4.841 1.015 0.189 0.00 0.00 -0.299 NA ATOM 9 C LIG 1 3.902 1.077 1.318 0.00 0.00 +0.092 C ATOM 10 C LIG 1 2.567 0.394 1.067 0.00 0.00 +0.089 C ATOM 11 P LIG 1 1.686 1.259 -0.244 0.00 0.00 +0.122 P ATOM 12 O LIG 1 1.126 2.559 0.292 0.00 0.00 -0.316 OA ATOM 13 C LIG 1 3.016 1.617 -1.403 0.00 0.00 +0.089 C ATOM 14 C LIG 1 4.260 0.781 -1.138 0.00 0.00 +0.092 C BRANCH 8 16 ATOM 15 C LIG 1 6.965 0.895 1.462 0.00 0.00 +0.024 C ATOM 16 C LIG 1 6.066 0.223 0.416 0.00 0.00 +0.050 C ATOM 17 C LIG 1 5.814 -1.243 0.786 0.00 0.00 +0.024 C ENDBRANCH 8 16 ENDBRANCH 1 11 BRANCH 6 18 ATOM 18 C LIG 1 -3.331 0.136 -1.385 0.00 0.00 +0.093 C BRANCH 18 19 ATOM 19 C LIG 1 -4.092 -0.412 -0.180 0.00 0.00 +0.074 A ATOM 20 C LIG 1 -5.485 0.060 0.044 0.00 0.00 +0.011 A ATOM 21 C LIG 1 -6.163 -0.446 1.151 0.00 0.00 +0.050 A ATOM 22 C LIG 1 -7.476 -0.046 1.429 0.00 0.00 +0.014 A ATOM 23 C LIG 1 -8.115 0.864 0.589 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -7.445 1.370 -0.524 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.485 -1.414 2.027 0.00 0.00 +0.272 A ATOM 26 O LIG 1 -6.042 -1.884 3.013 0.00 0.00 -0.266 OA ATOM 27 N LIG 1 -4.206 -1.758 1.668 0.00 0.00 -0.242 N ATOM 28 H LIG 1 -3.719 -2.423 2.261 0.00 0.00 +0.192 HD ATOM 29 C LIG 1 -6.133 0.971 -0.800 0.00 0.00 +0.010 A ATOM 30 N LIG 1 -3.516 -1.279 0.600 0.00 0.00 -0.175 NA ENDBRANCH 18 19 ENDBRANCH 6 18 TORSDOF 4