REMARK Name = BDB026033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.920 0.759 0.418 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.332 1.389 0.222 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.443 2.781 0.276 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.688 3.575 0.530 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -1.921 2.940 0.714 0.00 0.00 +0.135 A ATOM 6 F LIG 1 -3.026 3.656 0.974 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.044 1.552 0.660 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.502 -2.557 -1.852 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.897 -2.063 -0.530 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -2.537 -3.210 0.348 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -3.720 -3.868 0.907 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -1.595 -2.820 1.431 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -0.253 -3.513 1.162 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -1.407 -1.289 1.609 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -0.979 -0.653 0.347 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -1.678 -1.153 -0.864 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 -0.604 5.036 0.574 0.00 0.00 +0.112 A ATOM 18 S LIG 1 0.603 5.814 1.530 0.00 0.00 -0.057 S ATOM 19 C LIG 1 -0.002 7.339 1.050 0.00 0.00 +0.109 A ATOM 20 C LIG 1 -1.075 7.167 0.206 0.00 0.00 +0.138 A ATOM 21 N LIG 1 -1.419 5.855 -0.061 0.00 0.00 -0.246 NA BRANCH 19 22 ATOM 22 C LIG 1 0.531 8.589 1.470 0.00 0.00 +0.108 C ATOM 23 N LIG 1 0.954 9.615 1.808 0.00 0.00 -0.190 NA ENDBRANCH 19 22 ENDBRANCH 4 17 BRANCH 2 24 ATOM 24 N LIG 1 1.411 0.517 -0.030 0.00 0.00 -0.280 N ATOM 25 H LIG 1 1.109 -0.457 -0.057 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 2.735 0.830 -0.202 0.00 0.00 +0.250 C ATOM 27 O LIG 1 3.257 1.933 -0.126 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.574 -0.377 -0.450 0.00 0.00 +0.065 A ATOM 29 C LIG 1 3.513 -1.173 -1.671 0.00 0.00 +0.073 A ATOM 30 C LIG 1 4.318 -2.247 -1.795 0.00 0.00 +0.083 A ATOM 31 C LIG 1 5.258 -2.620 -0.709 0.00 0.00 +0.249 A ATOM 32 O LIG 1 5.982 -3.601 -0.807 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 5.256 -1.796 0.389 0.00 0.00 -0.328 N ATOM 34 H LIG 1 5.912 -2.039 1.123 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 4.444 -0.698 0.522 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 2.585 -0.749 -2.766 0.00 0.00 +0.418 C ATOM 37 F LIG 1 2.778 -1.459 -3.909 0.00 0.00 -0.166 F ATOM 38 F LIG 1 2.729 0.557 -3.095 0.00 0.00 -0.166 F ATOM 39 F LIG 1 1.287 -0.938 -2.418 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 2 24 TORSDOF 6