REMARK Name = BDB026016 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.744 -0.747 0.512 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.007 0.442 0.307 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.393 0.421 0.303 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.104 -0.777 0.509 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.349 -1.944 0.707 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.965 -3.118 0.918 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.045 -1.939 0.708 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.574 -0.795 0.511 0.00 0.00 +0.021 A ATOM 9 C LIG 1 4.334 -1.784 -0.080 0.00 0.00 +0.124 A ATOM 10 N LIG 1 5.686 -1.817 -0.092 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 6.345 -0.817 0.515 0.00 0.00 +0.218 A ATOM 12 N LIG 1 5.702 0.191 1.123 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 4.350 0.180 1.107 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 7.724 -0.846 0.537 0.00 0.00 -0.295 N ATOM 15 C LIG 1 8.454 0.398 0.802 0.00 0.00 +0.136 C ATOM 16 C LIG 1 9.437 0.685 -0.345 0.00 0.00 +0.179 C ATOM 17 O LIG 1 10.396 -0.361 -0.567 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 9.906 -1.667 -0.220 0.00 0.00 +0.179 C ATOM 19 C LIG 1 8.382 -1.809 -0.349 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -3.831 -2.387 0.220 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -2.813 -1.492 -0.538 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -2.155 -0.669 0.512 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -2.769 -0.989 1.816 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -4.144 -1.543 1.458 0.00 0.00 +0.039 C BRANCH 20 25 ATOM 25 N LIG 1 -4.973 -2.884 -0.575 0.00 0.00 -0.298 NA BRANCH 25 27 ATOM 26 C LIG 1 -6.684 -2.173 -2.230 0.00 0.00 +0.020 C ATOM 27 C LIG 1 -5.928 -1.825 -0.951 0.00 0.00 +0.081 C ENDBRANCH 25 27 BRANCH 25 28 ATOM 28 C LIG 1 -5.676 -3.999 0.093 0.00 0.00 +0.081 C ATOM 29 C LIG 1 -4.862 -5.290 0.123 0.00 0.00 +0.020 C ENDBRANCH 25 28 ENDBRANCH 20 25 ENDBRANCH 1 22 BRANCH 2 30 ATOM 30 N LIG 1 -0.782 1.603 0.100 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.779 1.391 0.101 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.352 2.894 -0.066 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.799 3.307 -0.012 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.477 3.853 -0.268 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.360 3.842 -1.424 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.336 4.765 -1.506 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.530 5.787 -0.443 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -4.451 6.589 -0.553 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.624 5.741 0.613 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -2.722 6.725 1.680 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -1.619 4.790 0.682 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -2.136 2.833 -2.507 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -0.846 2.781 -2.917 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.883 3.090 -3.613 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.484 1.587 -2.098 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 9