REMARK Name = BDB025777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.331 -0.767 -0.873 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.780 -2.047 -0.718 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.553 -3.140 -0.818 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.579 -2.241 -0.466 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.444 -1.151 -0.368 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.904 0.150 -0.543 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.463 0.331 -0.786 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.820 -1.274 -0.083 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.602 -2.241 -0.887 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.820 -3.620 -0.200 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.724 -4.503 -1.070 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.267 -3.543 1.219 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.652 -3.087 1.361 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.288 -2.695 1.959 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.580 -2.619 3.462 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.123 -1.268 1.370 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 N LIG 1 5.561 0.166 -1.474 0.00 0.00 -0.291 NA ATOM 18 C LIG 1 4.640 0.332 -2.611 0.00 0.00 +0.090 C ATOM 19 C LIG 1 3.159 0.452 -2.205 0.00 0.00 +0.051 C ATOM 20 C LIG 1 2.770 -0.557 -1.147 0.00 0.00 -0.039 C ATOM 21 C LIG 1 3.726 -1.233 -0.481 0.00 0.00 -0.007 C ATOM 22 C LIG 1 5.200 -1.045 -0.721 0.00 0.00 +0.112 C BRANCH 17 23 ATOM 23 C LIG 1 5.599 1.372 -0.627 0.00 0.00 +0.160 C BRANCH 23 27 ATOM 24 C LIG 1 10.295 1.761 0.499 0.00 0.00 +0.109 C ATOM 25 C LIG 1 8.862 1.575 0.798 0.00 0.00 +0.193 A ATOM 26 O LIG 1 8.011 1.604 -0.273 0.00 0.00 -0.444 OA ATOM 27 C LIG 1 6.776 1.396 0.281 0.00 0.00 +0.139 A ATOM 28 C LIG 1 6.946 1.274 1.640 0.00 0.00 +0.157 A ATOM 29 N LIG 1 8.274 1.387 1.962 0.00 0.00 -0.222 NA ENDBRANCH 23 27 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 6 30 ATOM 30 N LIG 1 -1.835 1.211 -0.481 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.782 0.873 -0.323 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.612 2.550 -0.677 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.556 3.106 -0.944 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.864 3.352 -0.585 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.556 3.635 0.667 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.676 4.386 0.644 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.205 4.917 -0.637 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.230 5.584 -0.670 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.476 4.607 -1.757 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.826 4.985 -2.631 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.330 3.851 -1.741 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.982 3.107 1.944 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.673 3.413 2.099 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.625 3.594 3.038 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.093 1.756 2.013 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 7