REMARK Name = BDB009535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.375 -0.397 1.325 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.008 -0.636 1.433 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.501 -1.228 2.576 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.860 -1.324 2.526 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -2.216 -0.831 1.355 0.00 0.00 +0.117 A ATOM 6 N LIG 1 0.244 -1.640 3.610 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.551 -1.424 3.417 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -1.098 -0.448 0.632 0.00 0.00 -0.319 N ATOM 9 N LIG 1 2.134 -0.830 2.348 0.00 0.00 -0.205 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 1.946 0.261 0.243 0.00 0.00 -0.324 N ATOM 11 H LIG 1 1.359 1.005 -0.115 0.00 0.00 +0.148 HD BRANCH 10 13 ATOM 12 C LIG 1 3.567 1.971 -0.356 0.00 0.00 +0.028 C ATOM 13 C LIG 1 3.374 0.597 0.298 0.00 0.00 +0.072 C BRANCH 13 14 ATOM 14 C LIG 1 4.184 -0.442 -0.482 0.00 0.00 +0.009 C ATOM 15 C LIG 1 4.377 -1.848 0.158 0.00 0.00 +0.005 C ATOM 16 C LIG 1 5.781 -1.862 -0.480 0.00 0.00 +0.001 C ATOM 17 C LIG 1 5.735 -0.322 -0.428 0.00 0.00 +0.005 C ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 7 18 ATOM 18 C LIG 1 2.462 -1.883 4.526 0.00 0.00 +0.375 C ATOM 19 O LIG 1 2.138 -2.441 5.561 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 3.770 -1.618 4.293 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 4.221 -1.974 5.085 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 7 18 BRANCH 5 22 ATOM 22 C LIG 1 -3.636 -0.695 0.886 0.00 0.00 +0.109 C BRANCH 22 23 ATOM 23 C LIG 1 -4.037 -1.676 -0.193 0.00 0.00 -0.040 A ATOM 24 C LIG 1 -4.698 -1.226 -1.346 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -5.079 -2.126 -2.342 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.814 -3.486 -2.192 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -4.177 -3.949 -1.043 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.796 -3.050 -0.045 0.00 0.00 +0.004 A ENDBRANCH 22 23 ENDBRANCH 5 22 BRANCH 8 29 ATOM 29 C LIG 1 -1.089 -0.029 -0.763 0.00 0.00 +0.158 C BRANCH 29 30 ATOM 30 C LIG 1 -1.493 1.413 -0.971 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -2.148 1.761 -2.163 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -2.515 3.084 -2.421 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -2.220 4.098 -1.499 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -1.560 3.756 -0.311 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -1.193 2.431 -0.054 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -2.636 5.524 -1.766 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -1.813 6.439 -1.182 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -2.655 5.835 -3.092 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -3.887 5.792 -1.300 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 10