REMARK Name = BDB035732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.524 -0.409 0.286 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.965 0.356 1.348 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -1.604 0.725 1.407 0.00 0.00 +0.060 A ATOM 4 C LIG 1 -0.788 0.315 0.361 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.671 0.541 0.136 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.926 -0.124 -1.137 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.239 -0.708 -1.646 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.440 -1.349 -2.661 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.314 -0.421 -0.688 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.648 -0.787 -0.751 0.00 0.00 +0.017 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.216 -0.145 -1.737 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.309 0.464 -1.100 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.606 0.447 -1.658 0.00 0.00 -0.035 A ATOM 14 C LIG 1 4.795 -0.174 -2.898 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.722 -0.777 -3.546 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.448 -0.765 -2.969 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.786 1.112 -0.951 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 5.812 0.803 0.518 0.00 0.00 +0.141 A ATOM 19 N LIG 1 6.219 -0.393 1.059 0.00 0.00 -0.320 N ATOM 20 C LIG 1 6.699 -1.557 0.364 0.00 0.00 +0.151 C ATOM 21 C LIG 1 6.053 -0.281 2.404 0.00 0.00 +0.224 A ATOM 22 N LIG 1 5.568 0.904 2.686 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 5.410 1.582 1.504 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 5.802 2.590 -1.336 0.00 0.00 +0.055 C ATOM 25 C LIG 1 6.804 3.545 -0.664 0.00 0.00 +0.166 C ATOM 26 O LIG 1 5.803 4.601 -0.651 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 4.759 3.601 -0.827 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 1 30 ATOM 28 N LIG 1 -6.494 -2.269 0.880 0.00 0.00 -0.301 NA ATOM 29 C LIG 1 -5.796 -1.162 1.570 0.00 0.00 +0.093 C ATOM 30 C LIG 1 -5.067 -0.795 0.251 0.00 0.00 +0.047 C ATOM 31 C LIG 1 -5.484 -2.218 -0.201 0.00 0.00 +0.093 C BRANCH 28 32 ATOM 32 C LIG 1 -7.813 -1.852 0.380 0.00 0.00 +0.084 C BRANCH 32 34 ATOM 33 C LIG 1 -10.244 -1.572 0.985 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -8.861 -1.948 1.494 0.00 0.00 +0.012 C ENDBRANCH 32 34 ENDBRANCH 28 32 ENDBRANCH 1 30 BRANCH 3 35 ATOM 35 C LIG 1 -1.051 1.527 2.555 0.00 0.00 +0.418 C ATOM 36 F LIG 1 -1.989 1.891 3.471 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -0.463 2.682 2.139 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -0.095 0.846 3.243 0.00 0.00 -0.166 F ENDBRANCH 3 35 TORSDOF 8