REMARK Name = BDB010930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.211 1.682 -0.277 0.00 0.00 -0.032 A ATOM 2 C LIG 1 1.932 1.110 -0.232 0.00 0.00 +0.019 A ATOM 3 C LIG 1 1.166 1.159 0.941 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.681 1.777 2.072 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.827 1.774 3.256 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -0.363 1.271 3.301 0.00 0.00 -0.171 NA ATOM 7 N LIG 1 -0.903 0.685 2.174 0.00 0.00 -0.196 N ATOM 8 C LIG 1 2.961 2.360 2.062 0.00 0.00 +0.064 A ATOM 9 C LIG 1 -0.185 0.551 0.974 0.00 0.00 +0.280 A ATOM 10 O LIG 1 -0.555 -0.032 -0.044 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 3.714 2.305 0.874 0.00 0.00 +0.018 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.249 0.204 2.367 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -3.062 -0.227 1.307 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -4.369 -0.717 1.513 0.00 0.00 -0.035 A ATOM 15 C LIG 1 -4.877 -0.759 2.817 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -4.102 -0.317 3.883 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -2.808 0.161 3.658 0.00 0.00 +0.028 A BRANCH 14 18 ATOM 18 C LIG 1 -5.195 -1.190 0.321 0.00 0.00 +0.090 C BRANCH 18 19 ATOM 19 C LIG 1 -5.657 -2.611 0.480 0.00 0.00 +0.141 A ATOM 20 N LIG 1 -4.835 -3.710 0.437 0.00 0.00 -0.320 N ATOM 21 C LIG 1 -3.410 -3.741 0.245 0.00 0.00 +0.151 C ATOM 22 C LIG 1 -5.636 -4.793 0.629 0.00 0.00 +0.224 A ATOM 23 N LIG 1 -6.878 -4.399 0.780 0.00 0.00 -0.138 NA ATOM 24 N LIG 1 -6.893 -3.028 0.689 0.00 0.00 -0.134 NA ENDBRANCH 18 19 BRANCH 18 25 ATOM 25 C LIG 1 -6.367 -0.224 0.109 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -7.129 -0.341 -1.246 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -7.285 1.192 -1.209 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -6.015 1.227 -0.337 0.00 0.00 +0.004 C ENDBRANCH 18 25 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 3.535 3.029 3.282 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.647 2.175 4.335 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.779 3.545 3.088 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.765 4.064 3.714 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 4.033 1.616 -1.550 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 7.720 -0.625 -0.187 0.00 0.00 +0.009 C ATOM 35 C LIG 1 6.781 0.146 -1.114 0.00 0.00 +0.000 C ATOM 36 C LIG 1 5.345 -0.400 -1.009 0.00 0.00 +0.088 C ATOM 37 N LIG 1 4.387 0.241 -1.924 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 4.869 0.160 -3.311 0.00 0.00 +0.085 C ATOM 39 C LIG 1 6.276 0.727 -3.514 0.00 0.00 +0.016 C ATOM 40 C LIG 1 7.276 0.076 -2.563 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 7