REMARK Name = BDB010948 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.693 0.432 -0.138 0.00 0.00 -0.178 N ATOM 2 C LIG 1 0.535 1.029 -0.458 0.00 0.00 +0.281 A ATOM 3 O LIG 1 0.789 2.229 -0.533 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 1.656 0.103 -0.746 0.00 0.00 +0.051 A ATOM 5 C LIG 1 1.455 -1.270 -0.713 0.00 0.00 +0.019 A ATOM 6 C LIG 1 2.505 -2.165 -0.991 0.00 0.00 +0.064 A ATOM 7 C LIG 1 3.772 -1.638 -1.305 0.00 0.00 +0.018 A ATOM 8 C LIG 1 3.994 -0.255 -1.337 0.00 0.00 -0.032 A ATOM 9 C LIG 1 0.108 -1.722 -0.375 0.00 0.00 +0.142 A ATOM 10 C LIG 1 2.927 0.609 -1.054 0.00 0.00 +0.019 A ATOM 11 N LIG 1 -0.887 -0.939 -0.110 0.00 0.00 -0.170 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.234 1.292 0.828 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -3.061 0.574 0.513 0.00 0.00 +0.053 A ATOM 14 C LIG 1 -1.857 1.215 0.182 0.00 0.00 +0.158 A ATOM 15 N LIG 1 -1.795 2.561 0.158 0.00 0.00 -0.236 NA ATOM 16 C LIG 1 -2.902 3.266 0.458 0.00 0.00 +0.113 A ATOM 17 C LIG 1 -4.113 2.688 0.790 0.00 0.00 +0.024 A BRANCH 12 18 ATOM 18 C LIG 1 -5.631 0.589 1.190 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -6.222 0.955 2.598 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -6.579 -0.525 2.836 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -8.039 -0.918 2.677 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -5.635 -0.901 1.676 0.00 0.00 +0.022 C BRANCH 18 25 ATOM 23 C LIG 1 -5.499 -0.339 -1.907 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -6.555 0.421 -1.297 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -6.658 0.840 0.002 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -7.762 1.549 0.129 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 -8.397 1.575 -1.089 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -7.658 0.898 -1.935 0.00 0.00 +0.224 A ENDBRANCH 18 25 ENDBRANCH 12 18 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 2.303 -3.656 -0.959 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.423 -4.369 -1.255 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.892 -4.096 0.261 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.355 -4.066 -1.845 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 5.364 0.308 -1.667 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 5.953 1.036 -0.533 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.454 0.127 0.517 0.00 0.00 +0.091 C ATOM 36 C LIG 1 7.873 -0.180 0.100 0.00 0.00 -0.015 C ATOM 37 C LIG 1 8.360 -1.611 0.029 0.00 0.00 +0.009 C ATOM 38 C LIG 1 8.869 -0.704 1.110 0.00 0.00 +0.009 C ATOM 39 C LIG 1 8.296 0.806 -0.949 0.00 0.00 +0.023 C ATOM 40 C LIG 1 7.143 1.804 -0.954 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6