REMARK Name = BDB026286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.738 -1.315 0.013 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.665 -0.403 0.199 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.660 -0.800 -0.011 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.960 -2.114 -0.398 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -0.100 -3.014 -0.548 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.126 -4.285 -0.914 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.426 -2.627 -0.348 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.967 -3.341 0.753 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.946 -2.546 -0.069 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.564 -1.764 -1.175 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.606 -0.843 -0.716 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.464 -1.085 -1.919 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.959 -0.326 -3.157 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.586 -0.158 -1.034 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.058 -0.846 0.173 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.031 -1.714 0.877 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.336 -2.528 -0.627 0.00 0.00 +0.022 A ATOM 18 C LIG 1 3.365 -1.683 -0.987 0.00 0.00 +0.117 A ATOM 19 N LIG 1 4.488 -2.453 -1.086 0.00 0.00 -0.270 N ATOM 20 N LIG 1 4.260 -3.760 -0.854 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 2.954 -3.801 -0.573 0.00 0.00 +0.143 A BRANCH 19 22 ATOM 22 C LIG 1 5.814 -2.004 -1.462 0.00 0.00 +0.159 C BRANCH 22 23 ATOM 23 C LIG 1 6.630 -1.480 -0.273 0.00 0.00 +0.108 C BRANCH 23 24 ATOM 24 N LIG 1 6.132 -0.228 0.331 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 6.823 0.036 1.612 0.00 0.00 +0.112 C ATOM 26 C LIG 1 6.355 1.355 2.246 0.00 0.00 +0.175 C ATOM 27 O LIG 1 6.570 2.458 1.355 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 5.850 2.241 0.136 0.00 0.00 +0.175 C ATOM 29 C LIG 1 6.306 0.944 -0.553 0.00 0.00 +0.112 C ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.029 0.888 0.641 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.029 0.964 0.812 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.222 1.976 0.854 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.983 2.074 0.680 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -0.994 3.147 1.354 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -1.639 4.107 0.467 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -2.312 5.145 1.002 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -2.406 5.306 2.476 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -3.021 6.240 2.973 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -1.776 4.343 3.223 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -1.829 4.462 4.229 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.076 3.291 2.687 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -1.530 3.898 -1.011 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.118 2.734 -1.388 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.250 3.866 -1.443 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.154 4.878 -1.716 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 8