REMARK Name = BDB050732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.960 -1.634 0.092 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -1.151 -2.903 -0.438 0.00 0.00 +0.170 A ATOM 3 F LIG 1 -0.562 -3.976 0.109 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -1.938 -3.050 -1.571 0.00 0.00 +0.159 A ATOM 5 F LIG 1 -2.115 -4.262 -2.115 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -2.547 -1.945 -2.165 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -2.383 -0.661 -1.619 0.00 0.00 -0.038 A ATOM 8 C LIG 1 -1.566 -0.512 -0.486 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 9 O LIG 1 -0.751 -1.503 2.381 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.156 -1.472 1.308 0.00 0.00 +0.250 C ATOM 11 N LIG 1 1.207 -1.253 1.177 0.00 0.00 -0.294 N ATOM 12 C LIG 1 1.999 -1.048 2.395 0.00 0.00 +0.127 C ATOM 13 C LIG 1 3.270 -0.225 2.128 0.00 0.00 +0.124 C ATOM 14 N LIG 1 4.133 -0.890 1.122 0.00 0.00 -0.324 N ATOM 15 C LIG 1 3.416 -1.639 0.057 0.00 0.00 +0.124 C ATOM 16 C LIG 1 1.945 -1.208 -0.095 0.00 0.00 +0.127 C BRANCH 14 17 ATOM 17 C LIG 1 5.153 -0.065 0.600 0.00 0.00 +0.072 A ATOM 18 C LIG 1 6.476 -0.538 0.657 0.00 0.00 +0.138 A ATOM 19 C LIG 1 7.545 0.181 0.144 0.00 0.00 +0.047 A ATOM 20 C LIG 1 7.302 1.416 -0.451 0.00 0.00 +0.004 A ATOM 21 C LIG 1 5.996 1.910 -0.528 0.00 0.00 +0.002 A ATOM 22 C LIG 1 4.927 1.172 -0.009 0.00 0.00 +0.027 A BRANCH 18 23 ATOM 23 O LIG 1 6.709 -1.750 1.250 0.00 0.00 -0.505 OA ATOM 24 H LIG 1 5.817 -2.005 1.568 0.00 0.00 +0.292 HD ENDBRANCH 18 23 ENDBRANCH 14 17 ENDBRANCH 1 10 BRANCH 7 25 ATOM 25 C LIG 1 -3.031 0.529 -2.292 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.569 1.576 -1.326 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -4.846 1.338 -0.604 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -5.276 2.334 0.271 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -6.466 2.184 0.994 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.229 1.029 0.839 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.804 0.028 -0.035 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -4.462 3.550 0.431 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -4.805 4.457 1.180 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -3.305 3.605 -0.309 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -2.734 4.440 -0.211 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.616 0.179 -0.757 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -2.856 2.653 -1.169 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 5