REMARK Name = BDB010986 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.871 -1.050 -0.014 0.00 0.00 -0.239 N ATOM 2 N LIG 1 0.296 -1.675 0.296 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 1.245 -1.072 -0.432 0.00 0.00 +0.094 A ATOM 4 C LIG 1 0.653 -0.035 -1.227 0.00 0.00 +0.032 A ATOM 5 C LIG 1 1.300 0.825 -2.118 0.00 0.00 +0.066 A ATOM 6 C LIG 1 2.692 0.537 -2.146 0.00 0.00 +0.018 A ATOM 7 C LIG 1 3.341 -0.489 -1.369 0.00 0.00 -0.031 A ATOM 8 C LIG 1 2.624 -1.331 -0.484 0.00 0.00 +0.035 A ATOM 9 C LIG 1 -0.685 -0.045 -0.943 0.00 0.00 +0.123 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -4.527 -1.174 0.928 0.00 0.00 -0.032 A ATOM 11 C LIG 1 -3.306 -0.795 0.322 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -2.092 -1.448 0.606 0.00 0.00 +0.066 A ATOM 13 C LIG 1 -2.082 -2.509 1.518 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -3.264 -2.912 2.129 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.460 -2.255 1.835 0.00 0.00 +0.005 A BRANCH 10 16 ATOM 16 C LIG 1 -5.938 -0.441 0.636 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -6.995 -1.307 -0.149 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -6.506 -0.619 -1.447 0.00 0.00 -0.012 C ATOM 19 C LIG 1 -7.559 -0.330 -2.498 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -6.072 0.571 -0.558 0.00 0.00 +0.022 C BRANCH 16 23 ATOM 21 C LIG 1 -4.731 1.865 2.521 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.958 1.154 2.747 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.513 0.168 1.978 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -7.628 -0.239 2.550 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -7.811 0.497 3.697 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -6.800 1.326 3.803 0.00 0.00 +0.224 A ENDBRANCH 16 23 ENDBRANCH 10 16 ENDBRANCH 1 12 BRANCH 5 27 ATOM 27 C LIG 1 0.676 1.908 -2.938 0.00 0.00 +0.418 C ATOM 28 F LIG 1 0.071 2.860 -2.174 0.00 0.00 -0.166 F ATOM 29 F LIG 1 1.560 2.574 -3.731 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.291 1.438 -3.775 0.00 0.00 -0.166 F ENDBRANCH 5 27 BRANCH 7 31 ATOM 31 C LIG 1 4.845 -0.675 -1.509 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 5.610 0.530 -1.163 0.00 0.00 -0.296 NA ATOM 33 C LIG 1 7.032 0.421 -1.565 0.00 0.00 +0.116 C ATOM 34 C LIG 1 8.060 0.163 -0.427 0.00 0.00 +0.138 C ATOM 35 C LIG 1 7.435 -0.678 0.684 0.00 0.00 +0.034 C ATOM 36 C LIG 1 6.142 -0.057 1.222 0.00 0.00 +0.018 C ATOM 37 C LIG 1 5.492 0.927 0.244 0.00 0.00 +0.085 C BRANCH 34 38 ATOM 38 O LIG 1 8.502 1.392 0.159 0.00 0.00 -0.318 OA BRANCH 38 39 ATOM 39 C LIG 1 9.679 1.892 -0.450 0.00 0.00 +0.483 C ATOM 40 F LIG 1 9.544 1.861 -1.796 0.00 0.00 -0.178 F ATOM 41 F LIG 1 9.808 3.189 -0.089 0.00 0.00 -0.178 F ENDBRANCH 38 39 ENDBRANCH 34 38 ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 8