REMARK Name = BDB008534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.893 -1.353 1.316 0.00 0.00 +0.148 A ATOM 2 N LIG 1 -0.262 -1.125 0.585 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -1.329 -1.170 1.454 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.757 -1.505 2.670 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.449 -1.707 3.799 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.769 -1.564 3.625 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -3.411 -1.218 2.484 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -2.706 -0.988 1.362 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.601 -1.586 2.580 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 4.303 -0.034 0.407 0.00 0.00 -0.044 A ATOM 11 C LIG 1 3.015 -0.148 0.955 0.00 0.00 +0.019 A ATOM 12 C LIG 1 2.247 -1.307 0.768 0.00 0.00 +0.060 A ATOM 13 C LIG 1 2.797 -2.385 0.064 0.00 0.00 +0.141 A ATOM 14 C LIG 1 4.066 -2.277 -0.507 0.00 0.00 +0.047 A ATOM 15 C LIG 1 4.813 -1.110 -0.334 0.00 0.00 +0.007 A BRANCH 10 17 ATOM 16 C LIG 1 5.348 1.972 -0.703 0.00 0.00 +0.012 C ATOM 17 C LIG 1 5.100 1.242 0.619 0.00 0.00 +0.013 C ATOM 18 C LIG 1 6.417 0.971 1.349 0.00 0.00 +0.012 C ENDBRANCH 10 17 BRANCH 13 19 ATOM 19 O LIG 1 2.038 -3.509 -0.127 0.00 0.00 -0.405 OA BRANCH 19 20 ATOM 20 C LIG 1 2.584 -4.639 0.551 0.00 0.00 +0.575 C ATOM 21 F LIG 1 1.635 -5.598 0.614 0.00 0.00 -0.133 F ATOM 22 F LIG 1 2.976 -4.341 1.805 0.00 0.00 -0.133 F ATOM 23 F LIG 1 3.633 -5.138 -0.141 0.00 0.00 -0.133 F ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 1 12 BRANCH 6 24 ATOM 24 C LIG 1 -3.656 -1.788 4.822 0.00 0.00 +0.375 C ATOM 25 O LIG 1 -4.872 -1.679 4.859 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 -2.979 -2.141 5.938 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 -3.674 -2.252 6.618 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 6 24 BRANCH 8 28 ATOM 28 N LIG 1 -3.338 -0.578 0.191 0.00 0.00 -0.324 N ATOM 29 H LIG 1 -2.811 0.156 -0.263 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.779 -0.301 0.256 0.00 0.00 +0.072 C ATOM 31 C LIG 1 -5.555 -1.614 0.099 0.00 0.00 +0.028 C BRANCH 30 32 ATOM 32 C LIG 1 -5.228 0.660 -0.858 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -4.739 0.446 -2.320 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -4.745 1.981 -2.470 0.00 0.00 +0.001 C ATOM 35 C LIG 1 -4.573 2.069 -0.940 0.00 0.00 +0.005 C ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 8 28 BRANCH 2 36 ATOM 36 C LIG 1 -0.315 -0.949 -0.860 0.00 0.00 +0.159 C BRANCH 36 37 ATOM 37 C LIG 1 0.211 0.396 -1.307 0.00 0.00 -0.025 A ATOM 38 C LIG 1 -0.206 1.595 -0.712 0.00 0.00 +0.044 A ATOM 39 C LIG 1 0.306 2.814 -1.153 0.00 0.00 +0.135 A ATOM 40 F LIG 1 -0.107 3.937 -0.551 0.00 0.00 -0.205 F ATOM 41 C LIG 1 1.229 2.882 -2.191 0.00 0.00 +0.090 A ATOM 42 C LIG 1 1.638 1.689 -2.801 0.00 0.00 +0.015 A ATOM 43 C LIG 1 1.130 0.461 -2.366 0.00 0.00 +0.006 A BRANCH 41 44 ATOM 44 C LIG 1 1.762 4.218 -2.614 0.00 0.00 +0.420 C ATOM 45 F LIG 1 2.630 4.135 -3.663 0.00 0.00 -0.166 F ATOM 46 F LIG 1 2.448 4.850 -1.623 0.00 0.00 -0.166 F ATOM 47 F LIG 1 0.786 5.077 -3.015 0.00 0.00 -0.166 F ENDBRANCH 41 44 ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 12