REMARK Name = BDB008354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.336 -2.839 -1.496 0.00 0.00 +0.032 C ATOM 2 C LIG 1 -3.331 -1.795 -1.005 0.00 0.00 +0.105 C ATOM 3 N LIG 1 -2.602 -2.139 0.205 0.00 0.00 -0.302 N ATOM 4 C LIG 1 -1.341 -1.646 0.439 0.00 0.00 +0.155 A ATOM 5 N LIG 1 -0.870 -2.167 1.549 0.00 0.00 -0.132 NA ATOM 6 N LIG 1 -1.868 -2.918 2.108 0.00 0.00 -0.125 NA ATOM 7 C LIG 1 -0.683 -0.621 -0.430 0.00 0.00 +0.149 C ATOM 8 N LIG 1 -1.178 -0.685 -1.829 0.00 0.00 -0.285 N ATOM 9 C LIG 1 -0.497 -0.155 -2.938 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.901 -0.275 -4.093 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -2.938 -2.847 1.332 0.00 0.00 +0.238 A ATOM 12 C LIG 1 -2.318 -1.552 -2.144 0.00 0.00 +0.133 C ENDROOT BRANCH 9 13 ATOM 13 C LIG 1 0.777 0.552 -2.748 0.00 0.00 +0.072 A ATOM 14 C LIG 1 0.858 1.915 -3.010 0.00 0.00 +0.135 A ATOM 15 F LIG 1 -0.214 2.601 -3.432 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.046 2.604 -2.779 0.00 0.00 +0.039 A ATOM 17 C LIG 1 3.157 1.927 -2.264 0.00 0.00 +0.007 A ATOM 18 C LIG 1 3.091 0.550 -2.013 0.00 0.00 -0.041 A ATOM 19 C LIG 1 1.906 -0.141 -2.306 0.00 0.00 +0.020 A BRANCH 18 20 ATOM 20 C LIG 1 4.217 -0.183 -1.319 0.00 0.00 +0.093 C BRANCH 20 21 ATOM 21 C LIG 1 3.920 -0.310 0.177 0.00 0.00 +0.074 A ATOM 22 C LIG 1 4.601 0.568 1.163 0.00 0.00 +0.011 A ATOM 23 C LIG 1 4.238 0.415 2.501 0.00 0.00 +0.050 A ATOM 24 C LIG 1 4.829 1.202 3.498 0.00 0.00 +0.014 A ATOM 25 C LIG 1 5.789 2.152 3.154 0.00 0.00 +0.001 A ATOM 26 C LIG 1 6.154 2.314 1.819 0.00 0.00 +0.001 A ATOM 27 C LIG 1 3.213 -0.578 2.866 0.00 0.00 +0.272 A ATOM 28 O LIG 1 2.864 -0.728 4.030 0.00 0.00 -0.266 OA ATOM 29 N LIG 1 2.682 -1.305 1.830 0.00 0.00 -0.242 N ATOM 30 H LIG 1 1.951 -1.978 2.060 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 5.564 1.527 0.824 0.00 0.00 +0.010 A ATOM 32 N LIG 1 3.020 -1.188 0.518 0.00 0.00 -0.175 NA ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 9 13 BRANCH 11 33 ATOM 33 C LIG 1 -4.278 -3.401 1.642 0.00 0.00 +0.452 C ATOM 34 F LIG 1 -4.572 -4.482 0.873 0.00 0.00 -0.163 F ATOM 35 F LIG 1 -4.404 -3.800 2.934 0.00 0.00 -0.163 F ATOM 36 F LIG 1 -5.262 -2.487 1.427 0.00 0.00 -0.163 F ENDBRANCH 11 33 BRANCH 7 37 ATOM 37 C LIG 1 -0.790 0.787 0.211 0.00 0.00 +0.065 C BRANCH 37 38 ATOM 38 C LIG 1 -2.195 1.337 0.329 0.00 0.00 -0.045 A ATOM 39 C LIG 1 -2.790 2.015 -0.744 0.00 0.00 +0.004 A ATOM 40 C LIG 1 -4.098 2.490 -0.640 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.821 2.297 0.535 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.236 1.631 1.611 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -2.929 1.156 1.510 0.00 0.00 +0.004 A ENDBRANCH 37 38 ENDBRANCH 7 37 TORSDOF 6