REMARK Name = BDB048633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.008 -1.614 0.419 0.00 0.00 +0.287 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.478 -1.505 0.311 0.00 0.00 +0.121 A ATOM 3 N LIG 1 2.244 -2.593 0.463 0.00 0.00 -0.079 NA ATOM 4 O LIG 1 3.547 -2.159 0.306 0.00 0.00 -0.354 OA ATOM 5 C LIG 1 3.567 -0.817 0.059 0.00 0.00 +0.168 A ATOM 6 C LIG 1 2.269 -0.360 0.054 0.00 0.00 +0.079 A BRANCH 5 7 ATOM 7 C LIG 1 4.878 -0.204 -0.131 0.00 0.00 +0.020 A ATOM 8 C LIG 1 6.056 -0.962 -0.063 0.00 0.00 +0.012 A ATOM 9 C LIG 1 7.310 -0.366 -0.247 0.00 0.00 +0.013 A ATOM 10 C LIG 1 7.416 1.008 -0.498 0.00 0.00 +0.055 A ATOM 11 C LIG 1 6.242 1.769 -0.576 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.990 1.170 -0.391 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 C LIG 1 8.765 1.648 -0.719 0.00 0.00 +0.417 C ATOM 14 F LIG 1 9.773 1.021 -0.051 0.00 0.00 -0.166 F ATOM 15 F LIG 1 8.809 2.950 -0.318 0.00 0.00 -0.166 F ATOM 16 F LIG 1 9.128 1.649 -2.031 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 5 7 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 O LIG 1 -0.644 -0.341 0.250 0.00 0.00 -0.486 OA BRANCH 17 22 ATOM 18 N LIG 1 -6.145 -0.071 0.527 0.00 0.00 -0.336 N ATOM 19 C LIG 1 -4.772 0.046 0.430 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -4.242 -1.234 0.608 0.00 0.00 +0.003 A ATOM 21 C LIG 1 -2.842 -1.414 0.556 0.00 0.00 +0.055 A ATOM 22 C LIG 1 -2.011 -0.312 0.326 0.00 0.00 +0.122 A ATOM 23 C LIG 1 -2.570 0.954 0.150 0.00 0.00 +0.048 A ATOM 24 C LIG 1 -5.335 -2.119 0.817 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -3.953 1.160 0.198 0.00 0.00 +0.030 A ATOM 26 C LIG 1 -6.492 -1.377 0.766 0.00 0.00 +0.087 A BRANCH 18 27 ATOM 27 C LIG 1 -7.091 1.026 0.437 0.00 0.00 +0.242 C BRANCH 27 29 ATOM 28 O LIG 1 -6.872 2.595 -1.404 0.00 0.00 -0.249 OA ATOM 29 C LIG 1 -7.257 1.520 -0.971 0.00 0.00 +0.325 C BRANCH 29 30 ATOM 30 O LIG 1 -7.920 0.661 -1.771 0.00 0.00 -0.479 OA ATOM 31 H LIG 1 -7.920 1.094 -2.651 0.00 0.00 +0.295 HD ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 18 27 ENDBRANCH 17 22 ENDBRANCH 1 17 TORSDOF 8