REMARK Name = BDB035876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.890 1.088 -0.508 0.00 0.00 +0.046 A ATOM 2 C LIG 1 0.449 0.670 -1.006 0.00 0.00 +0.197 A ATOM 3 O LIG 1 0.573 -0.003 -2.025 0.00 0.00 -0.287 OA ATOM 4 C LIG 1 1.647 1.115 -0.241 0.00 0.00 +0.047 A ATOM 5 C LIG 1 1.500 1.859 0.960 0.00 0.00 +0.064 A ATOM 6 C LIG 1 2.687 2.393 1.522 0.00 0.00 +0.079 A ATOM 7 C LIG 1 3.949 2.037 0.975 0.00 0.00 +0.019 A ATOM 8 C LIG 1 4.072 1.223 -0.153 0.00 0.00 -0.032 A ATOM 9 N LIG 1 0.188 2.039 1.471 0.00 0.00 -0.348 N ATOM 10 C LIG 1 -0.013 2.150 2.923 0.00 0.00 +0.149 C ATOM 11 C LIG 1 2.904 0.789 -0.774 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -0.902 1.716 0.676 0.00 0.00 +0.098 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 -4.452 -0.057 -1.308 0.00 0.00 -0.033 A ATOM 14 C LIG 1 -3.243 0.213 -0.628 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -2.134 0.816 -1.253 0.00 0.00 -0.013 A ATOM 16 C LIG 1 -2.231 1.152 -2.606 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -3.404 0.902 -3.312 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -4.492 0.310 -2.669 0.00 0.00 +0.004 A BRANCH 13 22 ATOM 19 C LIG 1 -6.201 -4.011 0.619 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -6.522 -2.577 0.247 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -6.148 -2.138 -1.187 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -5.725 -0.738 -0.605 0.00 0.00 +0.056 C ATOM 23 C LIG 1 -5.541 -1.495 0.758 0.00 0.00 +0.022 C BRANCH 22 24 ATOM 24 C LIG 1 -6.930 0.301 -0.550 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -6.945 1.533 0.045 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.884 2.188 0.759 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -8.184 2.047 -0.183 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -8.895 1.189 -0.875 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -8.104 0.090 -1.111 0.00 0.00 -0.134 NA ENDBRANCH 22 24 ENDBRANCH 13 22 ENDBRANCH 1 15 BRANCH 6 30 ATOM 30 C LIG 1 2.721 3.410 2.640 0.00 0.00 +0.419 C ATOM 31 F LIG 1 1.816 4.418 2.491 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.492 2.865 3.868 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.927 4.043 2.759 0.00 0.00 -0.166 F ENDBRANCH 6 30 BRANCH 8 34 ATOM 34 C LIG 1 5.430 0.872 -0.725 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 5.649 -0.576 -0.826 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 5.808 -1.235 0.481 0.00 0.00 +0.088 C ATOM 37 C LIG 1 7.232 -1.738 0.759 0.00 0.00 +0.000 C ATOM 38 C LIG 1 7.332 -2.384 2.140 0.00 0.00 +0.009 C ATOM 39 C LIG 1 7.684 -2.717 -0.334 0.00 0.00 +0.006 C ATOM 40 C LIG 1 7.145 -2.339 -1.713 0.00 0.00 +0.016 C ATOM 41 C LIG 1 6.725 -0.874 -1.778 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 6