REMARK Name = BDB035846 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.837 -1.303 -0.584 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.134 -0.292 0.080 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.509 0.575 0.848 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.281 -0.448 -0.283 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.360 0.329 0.099 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.626 -0.023 -0.387 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.756 -1.143 -1.246 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.648 -1.926 -1.621 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.405 -1.550 -1.120 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.062 -2.170 -1.334 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.510 -0.758 0.120 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.111 -0.575 0.024 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.241 -1.517 -0.549 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.804 -2.679 -1.086 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.177 -2.905 -1.010 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.009 -1.964 -0.407 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.014 1.999 -0.460 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.114 1.842 0.781 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.485 0.320 0.817 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.764 0.734 -0.001 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.838 -0.168 2.281 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.995 -0.271 3.354 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -3.592 0.037 3.418 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.753 -0.743 4.381 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -6.987 -0.921 3.973 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.041 -0.564 2.646 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.136 2.055 -2.886 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -5.324 1.927 -1.728 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.791 -3.108 -2.541 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.187 -2.900 -3.743 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.213 -4.230 -2.028 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.080 -3.442 -2.815 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.845 0.795 -0.022 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.322 1.540 -1.187 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 4.555 2.125 -1.522 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 6.456 2.406 -0.869 0.00 0.00 +0.091 C BRANCH 36 37 ATOM 37 C LIG 1 7.700 1.600 -0.720 0.00 0.00 +0.081 C ATOM 38 C LIG 1 8.909 2.263 -0.165 0.00 0.00 +0.256 C ATOM 39 F LIG 1 8.869 3.578 0.237 0.00 0.00 -0.205 F ATOM 40 F LIG 1 10.145 2.039 -0.724 0.00 0.00 -0.205 F ATOM 41 C LIG 1 8.240 1.216 0.648 0.00 0.00 +0.065 C ATOM 42 C LIG 1 8.898 -0.104 0.850 0.00 0.00 +0.014 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9