REMARK Name = BDB007269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.167 1.699 1.439 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -6.993 1.497 0.063 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -5.891 0.787 -0.422 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -4.967 0.216 0.467 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.787 -0.598 -0.035 0.00 0.00 +0.143 C ATOM 6 N LIG 1 -2.629 -0.518 0.868 0.00 0.00 -0.243 N ATOM 7 C LIG 1 -2.793 -0.505 2.254 0.00 0.00 +0.226 C ATOM 8 C LIG 1 -4.188 -0.247 2.796 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -1.906 -0.758 3.075 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -5.150 0.392 1.840 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -6.251 1.125 2.321 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -4.191 -2.031 -0.397 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -4.670 -2.302 -1.695 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -5.071 -3.591 -2.061 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.002 -4.626 -1.134 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -5.500 -6.210 -1.580 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.532 -4.383 0.154 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -4.131 -3.094 0.521 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.307 -0.513 0.315 0.00 0.00 +0.147 A ATOM 20 N LIG 1 -0.300 -0.012 1.055 0.00 0.00 -0.235 NA ATOM 21 C LIG 1 0.935 0.015 0.489 0.00 0.00 +0.156 A ATOM 22 C LIG 1 1.227 -0.438 -0.801 0.00 0.00 +0.139 A ATOM 23 N LIG 1 0.213 -0.910 -1.558 0.00 0.00 -0.235 NA ATOM 24 C LIG 1 -1.022 -0.945 -0.982 0.00 0.00 +0.157 A BRANCH 22 25 ATOM 25 N LIG 1 2.535 -0.358 -1.323 0.00 0.00 -0.317 N ATOM 26 C LIG 1 2.570 -0.605 -2.769 0.00 0.00 +0.130 C BRANCH 25 27 ATOM 27 C LIG 1 3.518 -1.125 -0.533 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 4.935 -0.526 -0.657 0.00 0.00 +0.006 C ATOM 29 C LIG 1 5.945 -1.410 0.093 0.00 0.00 +0.006 C ATOM 30 C LIG 1 7.366 -0.849 0.011 0.00 0.00 +0.019 C ATOM 31 C LIG 1 7.438 0.601 0.533 0.00 0.00 +0.059 C ATOM 32 C LIG 1 6.414 1.486 -0.205 0.00 0.00 +0.019 C ATOM 33 C LIG 1 4.997 0.914 -0.122 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 8.762 1.222 0.494 0.00 0.00 -0.275 NA ATOM 35 C LIG 1 9.765 0.636 1.365 0.00 0.00 +0.195 C ATOM 36 N LIG 1 11.000 1.116 0.824 0.00 0.00 -0.290 N ATOM 37 C LIG 1 12.265 0.803 1.439 0.00 0.00 +0.133 C ATOM 38 C LIG 1 10.871 1.453 -0.512 0.00 0.00 +0.230 C ATOM 39 O LIG 1 11.768 1.694 -1.304 0.00 0.00 -0.274 OA ATOM 40 C LIG 1 9.388 1.410 -0.822 0.00 0.00 +0.182 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 42 ATOM 41 C LIG 1 -8.330 2.855 3.167 0.00 0.00 +0.277 C ATOM 42 O LIG 1 -8.261 2.434 1.812 0.00 0.00 -0.491 OA ENDBRANCH 1 42 BRANCH 2 43 ATOM 43 O LIG 1 -7.876 2.081 -0.810 0.00 0.00 -0.486 OA BRANCH 43 44 ATOM 44 C LIG 1 -8.645 1.131 -1.569 0.00 0.00 +0.167 C ATOM 45 C LIG 1 -9.783 0.546 -0.721 0.00 0.00 +0.051 C ATOM 46 C LIG 1 -9.215 1.896 -2.765 0.00 0.00 +0.051 C ENDBRANCH 43 44 ENDBRANCH 2 43 TORSDOF 9