REMARK Name = BDB065218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.049 -0.195 -0.039 0.00 0.00 +0.128 A ATOM 2 C LIG 1 2.318 0.351 -0.238 0.00 0.00 +0.092 A ATOM 3 C LIG 1 3.464 -0.419 -0.027 0.00 0.00 +0.146 A ATOM 4 C LIG 1 3.359 -1.746 0.387 0.00 0.00 +0.105 A ATOM 5 C LIG 1 4.614 -2.505 0.594 0.00 0.00 +0.197 A ATOM 6 C LIG 1 5.871 -1.778 0.339 0.00 0.00 +0.098 A ATOM 7 C LIG 1 5.831 -0.503 -0.066 0.00 0.00 +0.139 A ATOM 8 O LIG 1 4.670 -3.672 0.956 0.00 0.00 -0.287 OA ATOM 9 C LIG 1 2.085 -2.294 0.585 0.00 0.00 +0.135 A ATOM 10 O LIG 1 4.662 0.213 -0.251 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 0.933 -1.523 0.374 0.00 0.00 +0.092 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 7.062 0.270 -0.328 0.00 0.00 +0.017 A ATOM 13 C LIG 1 8.148 -0.290 -1.020 0.00 0.00 +0.011 A ATOM 14 C LIG 1 9.300 0.461 -1.267 0.00 0.00 +0.001 A ATOM 15 C LIG 1 9.381 1.781 -0.831 0.00 0.00 +0.000 A ATOM 16 C LIG 1 8.309 2.354 -0.151 0.00 0.00 +0.001 A ATOM 17 C LIG 1 7.156 1.604 0.096 0.00 0.00 +0.011 A ENDBRANCH 7 12 BRANCH 9 18 ATOM 18 O LIG 1 1.940 -3.591 0.989 0.00 0.00 -0.506 OA ATOM 19 H LIG 1 1.004 -3.832 1.063 0.00 0.00 +0.292 HD ENDBRANCH 9 18 BRANCH 1 20 ATOM 20 O LIG 1 0.019 0.669 -0.280 0.00 0.00 -0.483 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.304 0.192 -0.085 0.00 0.00 +0.324 C BRANCH 21 23 ATOM 22 O LIG 1 -2.053 2.392 -0.837 0.00 0.00 -0.272 OA ATOM 23 C LIG 1 -2.334 1.280 -0.400 0.00 0.00 +0.251 C ATOM 24 N LIG 1 -3.637 0.889 -0.154 0.00 0.00 -0.308 N ATOM 25 H LIG 1 -3.817 0.050 0.381 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.723 1.827 -0.322 0.00 0.00 +0.139 C BRANCH 26 27 ATOM 27 C LIG 1 -6.050 1.137 -0.150 0.00 0.00 -0.030 A ATOM 28 C LIG 1 -6.619 0.424 -1.214 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -7.837 -0.240 -1.052 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -8.503 -0.215 0.182 0.00 0.00 +0.055 A ATOM 31 C LIG 1 -7.932 0.499 1.246 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -6.713 1.163 1.083 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -9.831 -0.912 0.351 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -10.884 -0.102 0.057 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -9.965 -2.008 -0.448 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -10.042 -1.355 1.623 0.00 0.00 -0.166 F ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8