REMARK Name = BDB024006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.413 0.813 -0.138 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -0.035 1.492 -1.291 0.00 0.00 +0.134 A ATOM 3 F LIG 1 0.791 2.542 -1.222 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.496 1.107 -2.547 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.371 0.030 -2.668 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.808 -0.655 -1.527 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.311 -0.261 -0.273 0.00 0.00 +0.018 A ENDROOT BRANCH 1 13 ATOM 8 O LIG 1 4.133 -1.623 1.394 0.00 0.00 -0.273 OA ATOM 9 C LIG 1 4.001 -0.480 0.949 0.00 0.00 +0.244 C ATOM 10 N LIG 1 3.058 0.403 1.485 0.00 0.00 -0.298 N ATOM 11 C LIG 1 2.815 1.744 0.945 0.00 0.00 +0.115 C ATOM 12 C LIG 1 1.548 2.394 1.472 0.00 0.00 +0.093 C ATOM 13 P LIG 1 0.141 1.271 1.475 0.00 0.00 +0.122 P ATOM 14 O LIG 1 -0.947 1.844 2.353 0.00 0.00 -0.316 OA ATOM 15 C LIG 1 0.834 -0.199 2.283 0.00 0.00 +0.093 C ATOM 16 C LIG 1 2.291 -0.012 2.657 0.00 0.00 +0.115 C BRANCH 9 17 ATOM 17 C LIG 1 4.820 -0.006 -0.278 0.00 0.00 +0.204 C ATOM 18 O LIG 1 5.479 1.257 -0.095 0.00 0.00 -0.367 OA ATOM 19 C LIG 1 6.857 1.119 -0.463 0.00 0.00 +0.161 C ATOM 20 C LIG 1 6.939 -0.118 -1.324 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.907 -1.002 -0.673 0.00 0.00 +0.043 C ENDBRANCH 9 17 ENDBRANCH 1 13 BRANCH 6 22 ATOM 22 C LIG 1 -2.749 -1.831 -1.667 0.00 0.00 +0.093 C BRANCH 22 23 ATOM 23 C LIG 1 -3.826 -1.901 -0.593 0.00 0.00 +0.074 A ATOM 24 C LIG 1 -4.989 -0.977 -0.641 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -5.937 -1.095 0.373 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -7.061 -0.262 0.401 0.00 0.00 +0.014 A ATOM 27 C LIG 1 -7.237 0.698 -0.595 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -6.292 0.822 -1.613 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.745 -2.110 1.421 0.00 0.00 +0.272 A ATOM 30 O LIG 1 -6.559 -2.260 2.326 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 -4.610 -2.876 1.320 0.00 0.00 -0.242 N ATOM 32 H LIG 1 -4.461 -3.580 2.036 0.00 0.00 +0.192 HD ATOM 33 C LIG 1 -5.170 -0.013 -1.640 0.00 0.00 +0.010 A ATOM 34 N LIG 1 -3.667 -2.789 0.345 0.00 0.00 -0.175 NA ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 4