REMARK Name = BDB065027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.633 -0.988 0.731 0.00 0.00 -0.016 A ATOM 2 C LIG 1 2.489 -0.283 0.661 0.00 0.00 +0.102 A ATOM 3 N LIG 1 1.332 -0.916 0.300 0.00 0.00 -0.250 N ATOM 4 C LIG 1 1.225 -2.236 -0.004 0.00 0.00 +0.174 A ATOM 5 N LIG 1 0.029 -2.619 -0.323 0.00 0.00 -0.143 NA ATOM 6 N LIG 1 -0.740 -1.467 -0.227 0.00 0.00 -0.180 N ATOM 7 C LIG 1 2.456 -3.046 0.066 0.00 0.00 +0.100 A ATOM 8 C LIG 1 0.069 -0.373 0.163 0.00 0.00 +0.356 A ATOM 9 O LIG 1 -0.230 0.799 0.340 0.00 0.00 -0.244 OA ATOM 10 C LIG 1 3.594 -2.417 0.425 0.00 0.00 +0.022 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.121 -1.512 -0.511 0.00 0.00 +0.071 A ATOM 12 C LIG 1 -2.942 -0.380 -0.396 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -4.333 -0.397 -0.678 0.00 0.00 -0.030 A ATOM 14 C LIG 1 -4.860 -1.631 -1.104 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.067 -2.773 -1.222 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.708 -2.712 -0.924 0.00 0.00 +0.028 A BRANCH 13 17 ATOM 17 C LIG 1 -5.229 0.956 -0.531 0.00 0.00 +0.073 C ATOM 18 C LIG 1 -4.877 2.060 -1.622 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -6.045 1.524 -2.475 0.00 0.00 -0.011 C ATOM 20 C LIG 1 -6.841 2.550 -3.254 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -6.675 1.018 -1.160 0.00 0.00 +0.024 C BRANCH 17 22 ATOM 22 C LIG 1 -5.094 1.490 0.965 0.00 0.00 +0.226 C ATOM 23 N LIG 1 -5.868 0.901 1.977 0.00 0.00 -0.307 N ATOM 24 C LIG 1 -6.824 -0.173 1.782 0.00 0.00 +0.131 C ATOM 25 C LIG 1 -5.839 1.483 3.310 0.00 0.00 +0.131 C ATOM 26 O LIG 1 -4.331 2.428 1.243 0.00 0.00 -0.275 OA ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 7 27 ATOM 27 C LIG 1 2.314 -4.481 -0.273 0.00 0.00 +0.421 C ATOM 28 F LIG 1 1.456 -5.127 0.556 0.00 0.00 -0.166 F ATOM 29 F LIG 1 3.499 -5.144 -0.176 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.877 -4.676 -1.542 0.00 0.00 -0.166 F ENDBRANCH 7 27 BRANCH 1 31 ATOM 31 C LIG 1 4.955 -0.369 1.129 0.00 0.00 +0.121 C BRANCH 31 35 ATOM 32 C LIG 1 9.052 1.444 1.391 0.00 0.00 +0.009 C ATOM 33 C LIG 1 7.621 1.235 0.897 0.00 0.00 +0.000 C ATOM 34 C LIG 1 7.344 -0.259 0.648 0.00 0.00 +0.088 C ATOM 35 N LIG 1 6.003 -0.542 0.111 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 5.766 0.239 -1.115 0.00 0.00 +0.085 C ATOM 37 C LIG 1 5.986 1.745 -0.951 0.00 0.00 +0.016 C ATOM 38 C LIG 1 7.367 2.045 -0.379 0.00 0.00 +0.006 C ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 6