REMARK Name = BDB045909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.739 -1.989 -0.058 0.00 0.00 +0.132 A ATOM 2 C LIG 1 -0.883 -0.984 -1.035 0.00 0.00 +0.078 A ATOM 3 C LIG 1 -2.162 -0.450 -1.292 0.00 0.00 +0.020 A ATOM 4 C LIG 1 -3.295 -0.907 -0.610 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -3.142 -1.917 0.341 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.879 -2.454 0.613 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 0.246 -0.401 -1.833 0.00 0.00 +0.248 C ATOM 8 N LIG 1 1.439 -1.083 -1.831 0.00 0.00 -0.307 N ATOM 9 H LIG 1 1.532 -1.858 -1.185 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 0.082 0.642 -2.461 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 2.641 -0.546 -2.420 0.00 0.00 +0.139 C BRANCH 11 12 ATOM 12 C LIG 1 3.525 0.066 -1.363 0.00 0.00 -0.030 A ATOM 13 C LIG 1 3.259 1.356 -0.884 0.00 0.00 +0.006 A ATOM 14 C LIG 1 4.057 1.923 0.112 0.00 0.00 +0.013 A ATOM 15 C LIG 1 5.131 1.206 0.658 0.00 0.00 +0.055 A ATOM 16 C LIG 1 5.396 -0.085 0.177 0.00 0.00 +0.013 A ATOM 17 C LIG 1 4.597 -0.652 -0.819 0.00 0.00 +0.006 A BRANCH 15 18 ATOM 18 C LIG 1 6.007 1.822 1.719 0.00 0.00 +0.417 C ATOM 19 F LIG 1 7.095 2.451 1.194 0.00 0.00 -0.166 F ATOM 20 F LIG 1 6.497 0.906 2.603 0.00 0.00 -0.166 F ATOM 21 F LIG 1 5.364 2.756 2.475 0.00 0.00 -0.166 F ENDBRANCH 15 18 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 2 7 BRANCH 1 23 ATOM 22 C LIG 1 0.722 -3.192 1.400 0.00 0.00 +0.277 C ATOM 23 O LIG 1 0.519 -2.484 0.181 0.00 0.00 -0.494 OA ENDBRANCH 1 23 BRANCH 4 24 ATOM 24 C LIG 1 -4.654 -0.315 -0.894 0.00 0.00 +0.036 C BRANCH 24 25 ATOM 25 C LIG 1 -5.175 0.587 0.228 0.00 0.00 +0.016 C BRANCH 25 26 ATOM 26 C LIG 1 -4.354 1.867 0.397 0.00 0.00 +0.121 C BRANCH 26 27 ATOM 27 C LIG 1 -4.954 2.770 1.440 0.00 0.00 +0.305 C ATOM 28 O LIG 1 -5.908 2.538 2.162 0.00 0.00 -0.251 OA BRANCH 27 29 ATOM 29 O LIG 1 -4.299 3.944 1.526 0.00 0.00 -0.481 OA ATOM 30 H LIG 1 -4.772 4.432 2.231 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 10