REMARK Name = BDB026129 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.512 -0.289 1.169 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.857 0.640 0.318 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.483 0.456 -0.057 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.236 -0.630 0.421 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.590 -1.504 1.304 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.248 -2.559 1.810 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.745 -1.337 1.678 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.812 -2.789 -0.109 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.642 -1.621 0.439 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.256 -1.816 1.767 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.154 -2.958 1.851 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.339 -1.661 2.914 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.581 -2.930 3.329 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.398 -0.420 2.814 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.867 -0.140 1.468 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.840 -0.296 0.365 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.637 -0.819 0.021 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.639 -1.219 0.882 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.935 -1.392 0.536 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.280 -1.167 -0.742 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.382 -0.777 -1.660 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.099 -0.613 -1.264 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.605 -1.368 -1.133 0.00 0.00 -0.297 N ATOM 24 C LIG 1 7.570 -1.297 -0.028 0.00 0.00 +0.123 C ATOM 25 C LIG 1 9.002 -1.594 -0.525 0.00 0.00 +0.100 C ATOM 26 N LIG 1 9.416 -0.763 -1.675 0.00 0.00 -0.313 NA ATOM 27 H LIG 1 9.365 0.215 -1.390 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 8.437 -0.971 -2.762 0.00 0.00 +0.100 C ATOM 29 C LIG 1 6.981 -0.648 -2.357 0.00 0.00 +0.123 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.599 1.786 -0.051 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.500 1.831 0.415 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.255 2.774 -0.942 0.00 0.00 +0.249 C ATOM 33 O LIG 1 -0.261 2.832 -1.650 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.249 3.870 -1.047 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -2.730 4.287 -2.302 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -3.636 5.363 -2.347 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -4.050 5.985 -1.173 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -4.917 7.002 -1.238 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -3.578 5.568 0.064 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -2.671 4.511 0.132 0.00 0.00 +0.016 A BRANCH 35 41 ATOM 41 C LIG 1 -2.308 3.610 -3.583 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.304 2.251 -3.498 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.083 3.994 -4.023 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.163 3.890 -4.613 0.00 0.00 -0.166 F ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6