REMARK Name = BDB026013 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.938 -0.976 0.324 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.375 0.199 -0.224 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.014 0.352 -0.300 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.884 -0.652 0.168 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.298 -1.810 0.706 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.071 -2.800 1.177 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.084 -1.978 0.786 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -6.173 -0.127 1.144 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.377 -1.230 1.853 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.807 -2.538 1.286 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.362 -3.396 2.336 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.719 -3.212 0.528 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.282 -4.321 -0.371 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.914 -2.224 -0.367 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.349 -1.080 0.389 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.851 -0.957 1.776 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.343 -0.486 0.095 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.215 -1.492 -0.273 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.559 -1.360 -0.353 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.092 -0.167 -0.051 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.333 0.875 0.323 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 2.994 0.695 0.386 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.478 -0.006 -0.089 0.00 0.00 -0.299 N ATOM 24 C LIG 1 6.901 1.385 -0.283 0.00 0.00 +0.111 C ATOM 25 C LIG 1 8.405 1.474 -0.565 0.00 0.00 +0.053 C ATOM 26 C LIG 1 9.175 0.343 0.119 0.00 0.00 +0.066 C ATOM 27 C LIG 1 10.680 0.494 -0.101 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.689 -1.030 -0.377 0.00 0.00 +0.053 C ATOM 29 C LIG 1 7.219 -1.028 -0.817 0.00 0.00 +0.111 C BRANCH 26 30 ATOM 30 O LIG 1 8.963 0.426 1.535 0.00 0.00 -0.389 OA ATOM 31 H LIG 1 8.027 0.187 1.689 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -2.304 1.159 -0.675 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -3.265 0.850 -0.532 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -2.057 2.372 -1.264 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -0.971 2.865 -1.540 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -3.311 3.095 -1.614 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -4.177 3.733 -0.630 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -5.292 4.365 -1.048 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -5.638 4.416 -2.491 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -6.655 4.976 -2.878 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -4.751 3.800 -3.338 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -4.978 3.849 -4.325 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -3.611 3.159 -2.921 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -3.780 3.693 0.813 0.00 0.00 +0.418 C ATOM 45 F LIG 1 -4.588 4.461 1.591 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.516 4.131 1.020 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -3.861 2.435 1.314 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 7