REMARK Name = BDB046407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.430 -1.222 0.801 0.00 0.00 -0.005 A ATOM 2 C LIG 1 -0.798 0.028 0.597 0.00 0.00 +0.132 A ATOM 3 C LIG 1 -1.529 1.234 0.383 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -2.919 1.063 0.318 0.00 0.00 +0.174 A ATOM 5 C LIG 1 -3.582 -0.143 0.453 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -4.959 0.186 0.312 0.00 0.00 +0.193 A ATOM 7 N LIG 1 -5.118 1.505 0.119 0.00 0.00 -0.073 NA ATOM 8 O LIG 1 -3.846 2.043 0.134 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -2.834 -1.300 0.713 0.00 0.00 +0.021 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -6.125 -0.734 0.387 0.00 0.00 +0.438 C ATOM 11 F LIG 1 -6.677 -0.759 1.630 0.00 0.00 -0.164 F ATOM 12 F LIG 1 -5.782 -2.022 0.101 0.00 0.00 -0.164 F ATOM 13 F LIG 1 -7.121 -0.409 -0.480 0.00 0.00 -0.164 F ENDBRANCH 6 10 BRANCH 1 14 ATOM 14 C LIG 1 -0.690 -2.478 1.219 0.00 0.00 +0.038 C BRANCH 14 16 ATOM 15 C LIG 1 -1.707 -4.364 -0.196 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -0.484 -3.508 0.100 0.00 0.00 +0.001 C ENDBRANCH 14 16 ENDBRANCH 1 14 BRANCH 2 17 ATOM 17 O LIG 1 0.565 0.173 0.749 0.00 0.00 -0.472 OA BRANCH 17 18 ATOM 18 C LIG 1 1.361 -0.396 -0.295 0.00 0.00 +0.311 C BRANCH 18 19 ATOM 19 C LIG 1 2.808 -0.033 0.033 0.00 0.00 +0.004 A ATOM 20 C LIG 1 3.741 -1.035 0.338 0.00 0.00 +0.008 A ATOM 21 C LIG 1 5.067 -0.706 0.633 0.00 0.00 +0.013 A ATOM 22 C LIG 1 5.489 0.632 0.634 0.00 0.00 +0.055 A ATOM 23 C LIG 1 4.558 1.634 0.326 0.00 0.00 +0.013 A ATOM 24 C LIG 1 3.232 1.306 0.033 0.00 0.00 +0.008 A BRANCH 22 25 ATOM 25 C LIG 1 6.927 0.970 0.939 0.00 0.00 +0.417 C ATOM 26 F LIG 1 7.772 0.581 -0.057 0.00 0.00 -0.166 F ATOM 27 F LIG 1 7.380 0.361 2.071 0.00 0.00 -0.166 F ATOM 28 F LIG 1 7.149 2.301 1.118 0.00 0.00 -0.166 F ENDBRANCH 22 25 ENDBRANCH 18 19 BRANCH 18 29 ATOM 29 C LIG 1 1.052 -0.040 -1.767 0.00 0.00 +0.351 C ATOM 30 O LIG 1 0.381 0.884 -2.195 0.00 0.00 -0.246 OA BRANCH 29 31 ATOM 31 O LIG 1 1.635 -0.896 -2.643 0.00 0.00 -0.478 OA ATOM 32 H LIG 1 1.383 -0.539 -3.521 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 18 29 ENDBRANCH 17 18 ENDBRANCH 2 17 BRANCH 3 33 ATOM 33 C LIG 1 -0.823 2.576 0.367 0.00 0.00 +0.042 C BRANCH 33 34 ATOM 34 C LIG 1 -1.480 3.752 -0.366 0.00 0.00 +0.001 C ATOM 35 C LIG 1 -1.602 3.544 -1.868 0.00 0.00 +0.004 C ENDBRANCH 33 34 ENDBRANCH 3 33 TORSDOF 11