REMARK Name = BDB010970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.670 -0.609 -1.458 0.00 0.00 -0.031 A ATOM 2 C LIG 1 2.835 0.507 -1.718 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.528 0.385 -1.222 0.00 0.00 +0.094 A ATOM 4 C LIG 1 1.110 -0.791 -0.516 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.200 -0.594 -0.174 0.00 0.00 +0.125 A ATOM 6 N LIG 1 -0.542 0.654 -0.666 0.00 0.00 -0.221 N ATOM 7 C LIG 1 1.877 -1.922 -0.225 0.00 0.00 +0.066 A ATOM 8 N LIG 1 0.509 1.248 -1.298 0.00 0.00 -0.165 NA ATOM 9 C LIG 1 3.192 -1.767 -0.746 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.814 1.320 -0.577 0.00 0.00 +0.154 A ATOM 11 N LIG 1 -1.913 2.571 -1.092 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 -3.099 3.197 -0.996 0.00 0.00 +0.113 A ATOM 13 C LIG 1 -4.215 2.630 -0.407 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -4.156 1.329 0.126 0.00 0.00 -0.029 A ATOM 15 C LIG 1 -2.905 0.684 0.025 0.00 0.00 +0.052 A BRANCH 14 16 ATOM 16 C LIG 1 -5.459 0.659 0.795 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -5.307 -0.639 1.659 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -6.188 -0.015 2.760 0.00 0.00 -0.012 C ATOM 19 C LIG 1 -7.622 -0.512 2.849 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -5.963 1.363 2.107 0.00 0.00 +0.022 C BRANCH 16 21 ATOM 21 C LIG 1 -6.596 0.524 -0.309 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.589 -0.259 -1.433 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.556 -1.148 -1.891 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -7.766 -0.013 -2.070 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.454 0.878 -1.393 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.712 1.226 -0.290 0.00 0.00 -0.134 NA ENDBRANCH 16 21 ENDBRANCH 14 16 ENDBRANCH 6 10 BRANCH 7 27 ATOM 27 C LIG 1 1.431 -3.147 0.507 0.00 0.00 +0.418 C ATOM 28 F LIG 1 2.433 -4.045 0.727 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.906 -2.869 1.733 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.461 -3.830 -0.164 0.00 0.00 -0.166 F ENDBRANCH 7 27 BRANCH 1 31 ATOM 31 C LIG 1 5.106 -0.584 -1.958 0.00 0.00 +0.119 C BRANCH 31 35 ATOM 32 C LIG 1 8.839 -0.701 0.242 0.00 0.00 +0.009 C ATOM 33 C LIG 1 7.539 -0.335 0.966 0.00 0.00 +0.000 C ATOM 34 C LIG 1 6.301 -0.806 0.180 0.00 0.00 +0.088 C ATOM 35 N LIG 1 6.116 -0.029 -1.048 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 5.932 1.397 -0.765 0.00 0.00 +0.085 C ATOM 37 C LIG 1 7.144 1.966 -0.024 0.00 0.00 +0.016 C ATOM 38 C LIG 1 7.450 1.172 1.243 0.00 0.00 +0.006 C ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 6