REMARK Name = BDB026025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.671 -0.273 -0.275 0.00 0.00 +0.016 A ATOM 2 C LIG 1 1.218 0.990 -0.679 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.084 1.932 -1.087 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.136 1.334 -0.679 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.103 0.416 -0.268 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.668 -0.871 0.133 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.695 -1.198 0.136 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.476 0.726 -0.206 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.059 1.472 -1.339 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.532 1.866 -1.033 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.197 2.389 -2.313 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.680 2.721 0.172 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.120 4.091 -0.033 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.581 2.569 1.159 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -2.494 3.657 1.099 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.935 1.154 1.141 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 17 N LIG 1 5.394 -0.383 -0.238 0.00 0.00 -0.292 N ATOM 18 C LIG 1 4.197 0.392 -0.510 0.00 0.00 +0.143 C ATOM 19 C LIG 1 3.105 -0.622 -0.265 0.00 0.00 -0.023 C ATOM 20 C LIG 1 3.647 -1.836 -0.061 0.00 0.00 -0.002 C ATOM 21 C LIG 1 5.141 -1.801 -0.129 0.00 0.00 +0.136 C BRANCH 17 26 ATOM 22 C LIG 1 10.409 1.478 -1.869 0.00 0.00 +0.047 C ATOM 23 C LIG 1 9.067 0.974 -1.470 0.00 0.00 -0.014 A ATOM 24 C LIG 1 8.849 -0.320 -1.059 0.00 0.00 +0.119 A ATOM 25 N LIG 1 7.651 -0.790 -0.661 0.00 0.00 -0.222 NA ATOM 26 C LIG 1 6.614 0.067 -0.658 0.00 0.00 +0.218 A ATOM 27 N LIG 1 6.737 1.353 -1.026 0.00 0.00 -0.222 NA ATOM 28 C LIG 1 7.954 1.779 -1.417 0.00 0.00 +0.119 A ENDBRANCH 17 26 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -1.689 -1.780 0.486 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.616 -1.373 0.377 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.570 -3.087 0.883 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.551 -3.751 1.014 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.895 -3.713 1.141 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.639 -3.529 2.381 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.834 -4.135 2.526 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.389 -4.982 1.440 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.478 -5.528 1.557 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.607 -5.103 0.318 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -4.979 -5.694 -0.417 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.387 -4.492 0.165 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.035 -2.686 3.461 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.794 -2.676 4.589 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.804 -3.110 3.828 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.919 -1.389 3.074 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6