REMARK Name = BDB050469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.628 1.314 -0.050 0.00 0.00 +0.050 A ATOM 2 C LIG 1 -2.357 2.387 0.855 0.00 0.00 +0.011 A ATOM 3 C LIG 1 -1.028 2.772 0.677 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -0.445 3.804 1.444 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -1.229 4.453 2.406 0.00 0.00 +0.132 A ATOM 6 C LIG 1 -2.555 4.071 2.595 0.00 0.00 +0.047 A ATOM 7 N LIG 1 -0.502 1.961 -0.316 0.00 0.00 -0.339 N ATOM 8 C LIG 1 -3.129 3.049 1.831 0.00 0.00 +0.014 A ATOM 9 C LIG 1 -1.480 1.114 -0.810 0.00 0.00 +0.028 A ATOM 10 C LIG 1 -1.241 0.187 -1.958 0.00 0.00 +0.064 C ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -3.900 0.603 -0.168 0.00 0.00 +0.195 C ATOM 12 O LIG 1 -4.976 1.194 -0.182 0.00 0.00 -0.287 OA BRANCH 11 16 ATOM 13 C LIG 1 -3.977 -3.690 -0.375 0.00 0.00 +0.120 A ATOM 14 C LIG 1 -4.955 -2.921 -1.011 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -4.927 -1.526 -0.934 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -3.900 -0.885 -0.233 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -2.924 -1.654 0.414 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -2.961 -3.051 0.338 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 -3.269 -5.870 0.249 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -4.120 -5.040 -0.532 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 O LIG 1 -0.814 5.463 3.231 0.00 0.00 -0.406 OA BRANCH 21 22 ATOM 22 C LIG 1 0.468 6.019 2.993 0.00 0.00 +0.575 C ATOM 23 F LIG 1 0.664 7.044 3.854 0.00 0.00 -0.133 F ATOM 24 F LIG 1 1.443 5.107 3.203 0.00 0.00 -0.133 F ATOM 25 F LIG 1 0.567 6.503 1.736 0.00 0.00 -0.133 F ENDBRANCH 21 22 ENDBRANCH 5 21 BRANCH 7 26 ATOM 26 C LIG 1 0.886 2.014 -0.780 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 1.703 0.856 -0.259 0.00 0.00 -0.024 A ATOM 28 C LIG 1 2.332 -0.021 -1.157 0.00 0.00 +0.051 A ATOM 29 C LIG 1 3.097 -1.085 -0.682 0.00 0.00 +0.122 A ATOM 30 C LIG 1 3.222 -1.316 0.686 0.00 0.00 +0.046 A ATOM 31 C LIG 1 2.616 -0.444 1.587 0.00 0.00 +0.004 A ATOM 32 C LIG 1 1.867 0.639 1.119 0.00 0.00 +0.005 A BRANCH 29 33 ATOM 33 O LIG 1 3.649 -1.938 -1.598 0.00 0.00 -0.478 OA BRANCH 33 34 ATOM 34 C LIG 1 5.077 -1.837 -1.645 0.00 0.00 +0.278 C ATOM 35 C LIG 1 5.596 -3.192 -2.118 0.00 0.00 +0.064 C BRANCH 34 36 ATOM 36 C LIG 1 5.550 -0.745 -2.608 0.00 0.00 +0.346 C ATOM 37 O LIG 1 4.870 -0.035 -3.334 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 6.894 -0.588 -2.591 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 7.053 0.139 -3.232 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 11