REMARK Name = BDB010976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.617 0.491 0.542 0.00 0.00 -0.239 N ATOM 2 N LIG 1 0.669 1.223 1.193 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 -0.395 0.415 1.312 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -0.073 -0.888 0.798 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.919 -2.000 0.704 0.00 0.00 +0.066 A ATOM 6 C LIG 1 -2.210 -1.667 1.196 0.00 0.00 +0.018 A ATOM 7 C LIG 1 -2.588 -0.378 1.722 0.00 0.00 -0.031 A ATOM 8 C LIG 1 -1.672 0.702 1.818 0.00 0.00 +0.035 A ATOM 9 C LIG 1 1.222 -0.822 0.362 0.00 0.00 +0.123 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 4.937 1.017 -1.172 0.00 0.00 -0.034 A ATOM 11 C LIG 1 3.792 0.392 -0.620 0.00 0.00 +0.032 A ATOM 12 C LIG 1 2.809 1.120 0.071 0.00 0.00 +0.066 A ATOM 13 C LIG 1 2.982 2.501 0.259 0.00 0.00 +0.028 A ATOM 14 C LIG 1 4.107 3.143 -0.260 0.00 0.00 +0.002 A ATOM 15 C LIG 1 5.058 2.413 -0.973 0.00 0.00 +0.004 A BRANCH 10 16 ATOM 16 C LIG 1 6.066 0.187 -1.953 0.00 0.00 +0.049 C ATOM 17 C LIG 1 6.369 0.644 -3.413 0.00 0.00 +0.174 C ATOM 18 O LIG 1 6.495 -0.744 -3.834 0.00 0.00 -0.378 OA ATOM 19 C LIG 1 5.699 -1.145 -2.675 0.00 0.00 +0.174 C BRANCH 16 20 ATOM 20 C LIG 1 7.344 0.065 -1.099 0.00 0.00 +0.092 C BRANCH 20 23 ATOM 21 C LIG 1 8.618 0.775 1.645 0.00 0.00 +0.151 C ATOM 22 N LIG 1 7.670 -0.280 1.401 0.00 0.00 -0.320 N ATOM 23 C LIG 1 7.099 -0.631 0.202 0.00 0.00 +0.134 A ATOM 24 N LIG 1 6.311 -1.679 0.404 0.00 0.00 -0.135 NA ATOM 25 N LIG 1 6.361 -2.004 1.743 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 7.183 -1.155 2.327 0.00 0.00 +0.224 A ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 10 16 ENDBRANCH 1 12 BRANCH 5 27 ATOM 27 C LIG 1 -0.591 -3.339 0.122 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -0.098 -3.249 -1.147 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -1.666 -4.173 0.041 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.349 -4.016 0.842 0.00 0.00 -0.166 F ENDBRANCH 5 27 BRANCH 7 31 ATOM 31 C LIG 1 -4.040 -0.150 2.119 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 -4.944 -0.224 0.962 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 -6.352 -0.263 1.365 0.00 0.00 +0.088 C ATOM 34 C LIG 1 -7.259 -0.663 0.169 0.00 0.00 +0.006 C ATOM 35 C LIG 1 -6.748 -0.054 -1.156 0.00 0.00 +0.006 C ATOM 36 C LIG 1 -5.896 1.185 -0.902 0.00 0.00 +0.016 C ATOM 37 C LIG 1 -4.693 0.861 -0.004 0.00 0.00 +0.085 C BRANCH 34 38 ATOM 38 C LIG 1 -8.708 -0.374 0.521 0.00 0.00 -0.007 C ATOM 39 C LIG 1 -9.819 -0.483 -0.495 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -9.445 0.862 0.069 0.00 0.00 +0.004 C ENDBRANCH 34 38 ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 8