REMARK Name = BDB010967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.897 1.299 -0.578 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.807 1.273 0.301 0.00 0.00 +0.019 A ATOM 3 C LIG 1 1.541 0.851 -0.132 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.361 0.459 -1.451 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.015 0.034 -1.825 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -0.996 -0.003 -1.019 0.00 0.00 -0.170 NA ATOM 7 N LIG 1 -0.822 0.378 0.301 0.00 0.00 -0.178 N ATOM 8 C LIG 1 2.430 0.482 -2.364 0.00 0.00 +0.064 A ATOM 9 C LIG 1 0.404 0.821 0.818 0.00 0.00 +0.281 A ATOM 10 O LIG 1 0.649 1.186 1.965 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 3.693 0.908 -1.909 0.00 0.00 +0.018 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.002 0.287 1.119 0.00 0.00 +0.158 A ATOM 13 N LIG 1 -1.957 0.658 2.414 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 -3.078 0.567 3.153 0.00 0.00 +0.113 A ATOM 15 C LIG 1 -4.287 0.114 2.660 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -4.391 -0.282 1.319 0.00 0.00 -0.029 A ATOM 17 C LIG 1 -3.203 -0.180 0.564 0.00 0.00 +0.053 A BRANCH 16 18 ATOM 18 C LIG 1 -5.785 -0.794 0.709 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -5.779 -1.647 -0.605 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -6.748 -2.658 0.041 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -8.201 -2.585 -0.402 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -6.404 -2.052 1.416 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 -6.795 0.432 0.630 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.666 1.577 -0.110 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.593 1.954 -0.988 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -7.763 2.332 0.171 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -8.521 1.700 1.035 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.906 0.509 1.334 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 16 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 2.253 0.065 -3.799 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.391 0.148 -4.541 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.330 0.826 -4.446 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.827 -1.222 -3.913 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 5.264 1.748 -0.098 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 9.127 -0.184 -0.682 0.00 0.00 +0.009 C ATOM 35 C LIG 1 7.886 -0.978 -0.267 0.00 0.00 +0.000 C ATOM 36 C LIG 1 6.585 -0.259 -0.687 0.00 0.00 +0.088 C ATOM 37 N LIG 1 6.179 0.694 0.338 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 5.816 0.057 1.608 0.00 0.00 +0.085 C ATOM 39 C LIG 1 6.534 -1.280 1.846 0.00 0.00 +0.016 C ATOM 40 C LIG 1 7.932 -1.271 1.245 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6