REMARK Name = BDB010998 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.999 -0.314 0.700 0.00 0.00 -0.239 N ATOM 2 N LIG 1 0.036 -0.537 1.555 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 1.131 -0.645 0.791 0.00 0.00 +0.094 A ATOM 4 C LIG 1 0.769 -0.494 -0.590 0.00 0.00 +0.032 A ATOM 5 C LIG 1 1.618 -0.542 -1.700 0.00 0.00 +0.066 A ATOM 6 C LIG 1 2.957 -0.776 -1.280 0.00 0.00 +0.018 A ATOM 7 C LIG 1 3.378 -0.934 0.088 0.00 0.00 -0.031 A ATOM 8 C LIG 1 2.463 -0.871 1.170 0.00 0.00 +0.035 A ATOM 9 C LIG 1 -0.584 -0.290 -0.617 0.00 0.00 +0.123 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -4.731 0.252 0.819 0.00 0.00 -0.032 A ATOM 11 C LIG 1 -3.409 0.083 0.341 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -2.322 -0.142 1.202 0.00 0.00 +0.066 A ATOM 13 C LIG 1 -2.547 -0.198 2.581 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -3.834 -0.032 3.085 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.904 0.187 2.216 0.00 0.00 +0.005 A BRANCH 10 19 ATOM 16 C LIG 1 -7.956 3.330 -0.779 0.00 0.00 +0.007 C ATOM 17 C LIG 1 -7.398 1.931 -0.950 0.00 0.00 -0.012 C ATOM 18 C LIG 1 -5.861 1.811 -1.055 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -5.946 0.490 -0.205 0.00 0.00 +0.056 C ATOM 20 C LIG 1 -7.307 1.062 0.327 0.00 0.00 +0.022 C BRANCH 19 21 ATOM 21 C LIG 1 -6.150 -0.811 -1.098 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.455 -2.076 -0.675 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.662 -2.538 0.669 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.504 -2.845 -1.797 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -6.243 -2.106 -2.849 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -6.014 -0.824 -2.409 0.00 0.00 -0.134 NA ENDBRANCH 19 21 ENDBRANCH 10 19 ENDBRANCH 1 12 BRANCH 5 27 ATOM 27 C LIG 1 1.234 -0.386 -3.136 0.00 0.00 +0.418 C ATOM 28 F LIG 1 0.405 -1.375 -3.568 0.00 0.00 -0.166 F ATOM 29 F LIG 1 2.302 -0.402 -3.983 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.585 0.785 -3.385 0.00 0.00 -0.166 F ENDBRANCH 5 27 BRANCH 7 31 ATOM 31 C LIG 1 4.851 -1.179 0.391 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 5.440 -0.104 1.191 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 6.633 -0.506 1.942 0.00 0.00 +0.088 C ATOM 34 C LIG 1 7.965 -0.535 1.169 0.00 0.00 +0.000 C ATOM 35 C LIG 1 8.136 -1.778 0.294 0.00 0.00 +0.009 C ATOM 36 C LIG 1 8.155 0.757 0.364 0.00 0.00 +0.009 C ATOM 37 C LIG 1 6.908 1.118 -0.455 0.00 0.00 +0.000 C ATOM 38 C LIG 1 7.095 2.469 -1.145 0.00 0.00 +0.009 C ATOM 39 C LIG 1 5.663 1.143 0.449 0.00 0.00 +0.088 C ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 6