REMARK Name = BDB025946 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.442 -0.603 -0.657 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.791 0.639 -0.429 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.608 0.718 -0.365 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.415 -0.418 -0.556 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.756 -1.623 -0.830 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.462 -2.748 -1.027 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.636 -1.718 -0.890 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.824 -3.700 -1.923 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.979 -2.926 -0.899 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.703 -2.715 0.380 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.161 -3.956 1.003 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.913 -1.876 1.319 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -2.712 -2.581 1.971 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.491 -0.523 0.681 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.843 -0.662 -0.647 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.554 -1.580 -1.558 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.881 -0.331 -0.485 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.558 0.425 0.451 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.904 0.527 0.537 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.642 -0.156 -0.352 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.085 -0.918 -1.304 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.735 -0.989 -1.347 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.017 -0.043 -0.300 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.838 -1.065 -0.954 0.00 0.00 +0.136 C ATOM 25 C LIG 1 8.820 -1.677 0.059 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.696 -0.720 0.675 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.120 0.592 0.786 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.588 0.587 0.892 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.629 1.774 -0.354 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.602 1.551 -0.549 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.279 3.075 -0.092 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.177 3.518 0.193 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.444 3.996 -0.183 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.274 4.340 0.965 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.308 5.189 0.796 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -4.600 5.770 -0.538 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -5.540 6.536 -0.704 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.758 5.387 -1.553 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.950 5.795 -2.461 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.701 4.526 -1.389 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.948 3.728 2.291 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.707 4.047 2.725 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.027 2.373 2.244 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.812 4.122 3.264 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6