REMARK Name = BDB010989 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.981 -0.324 -0.588 0.00 0.00 -0.195 N ATOM 2 C LIG 1 -0.188 -0.989 -0.988 0.00 0.00 +0.280 A ATOM 3 O LIG 1 -0.285 -2.171 -1.308 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 -1.431 -0.186 -1.026 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -1.401 1.160 -0.685 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -2.569 1.942 -0.716 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -3.774 1.326 -1.099 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -3.824 -0.035 -1.441 0.00 0.00 -0.032 A ATOM 9 C LIG 1 -0.102 1.701 -0.299 0.00 0.00 +0.142 A ATOM 10 C LIG 1 -2.642 -0.783 -1.405 0.00 0.00 +0.019 A ATOM 11 N LIG 1 0.996 1.018 -0.256 0.00 0.00 -0.171 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 4.681 -0.793 0.080 0.00 0.00 -0.014 A ATOM 13 C LIG 1 3.392 -0.231 -0.037 0.00 0.00 +0.035 A ATOM 14 C LIG 1 2.270 -0.957 -0.484 0.00 0.00 +0.088 A ATOM 15 C LIG 1 2.516 -2.288 -0.804 0.00 0.00 +0.138 A ATOM 16 N LIG 1 3.729 -2.892 -0.717 0.00 0.00 -0.261 NA ATOM 17 C LIG 1 4.762 -2.138 -0.283 0.00 0.00 +0.115 A BRANCH 12 21 ATOM 18 C LIG 1 6.830 1.236 3.769 0.00 0.00 +0.007 C ATOM 19 C LIG 1 6.952 0.922 2.291 0.00 0.00 -0.012 C ATOM 20 C LIG 1 6.661 -0.536 1.869 0.00 0.00 +0.022 C ATOM 21 C LIG 1 5.962 0.020 0.573 0.00 0.00 +0.057 C ATOM 22 C LIG 1 5.764 1.343 1.395 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 6.972 0.216 -0.640 0.00 0.00 +0.144 A ATOM 24 N LIG 1 6.741 0.856 -1.828 0.00 0.00 -0.320 N ATOM 25 C LIG 1 5.537 1.500 -2.273 0.00 0.00 +0.151 C ATOM 26 C LIG 1 7.896 0.751 -2.541 0.00 0.00 +0.224 A ATOM 27 N LIG 1 8.786 0.090 -1.840 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 8.203 -0.253 -0.645 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 -2.557 3.401 -0.349 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.719 4.121 -1.144 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -3.771 4.007 -0.443 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.132 3.607 0.927 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 -5.137 -0.679 -1.842 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -6.155 -0.585 -0.787 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -5.795 -1.380 0.405 0.00 0.00 +0.088 C ATOM 36 C LIG 1 -7.007 -1.882 1.220 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -6.601 -2.212 2.655 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -8.140 -0.858 1.181 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -8.556 -0.563 -0.263 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -7.483 -0.932 -1.293 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6