REMARK Name = BDB057728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.416 -0.441 -0.470 0.00 0.00 +0.211 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.831 1.003 -0.233 0.00 0.00 -0.007 A ATOM 3 C LIG 1 -2.389 2.008 -1.108 0.00 0.00 +0.011 A ATOM 4 C LIG 1 -2.746 3.347 -0.910 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -3.557 3.706 0.166 0.00 0.00 +0.130 A ATOM 6 C LIG 1 -4.006 2.710 1.037 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -3.649 1.374 0.842 0.00 0.00 +0.011 A BRANCH 5 8 ATOM 8 O LIG 1 -3.982 4.964 0.480 0.00 0.00 -0.406 OA BRANCH 8 9 ATOM 9 C LIG 1 -3.540 6.034 -0.337 0.00 0.00 +0.575 C ATOM 10 F LIG 1 -3.968 5.889 -1.610 0.00 0.00 -0.133 F ATOM 11 F LIG 1 -4.051 7.188 0.147 0.00 0.00 -0.133 F ATOM 12 F LIG 1 -2.193 6.136 -0.323 0.00 0.00 -0.133 F ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 14 ATOM 13 C LIG 1 -0.092 0.093 0.758 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -1.167 -0.867 0.267 0.00 0.00 +0.042 C ATOM 15 C LIG 1 -0.958 -0.662 1.745 0.00 0.00 +0.016 C BRANCH 13 22 ATOM 16 C LIG 1 3.724 -1.287 -2.222 0.00 0.00 +0.047 C ATOM 17 C LIG 1 3.252 -0.914 -0.847 0.00 0.00 -0.008 A ATOM 18 C LIG 1 4.115 -0.855 0.258 0.00 0.00 +0.128 A ATOM 19 C LIG 1 3.603 -0.614 1.542 0.00 0.00 -0.008 A ATOM 20 C LIG 1 4.460 -0.644 2.773 0.00 0.00 +0.047 C ATOM 21 C LIG 1 2.241 -0.297 1.683 0.00 0.00 +0.011 A ATOM 22 C LIG 1 1.364 -0.273 0.590 0.00 0.00 -0.043 A ATOM 23 C LIG 1 1.897 -0.589 -0.668 0.00 0.00 +0.011 A BRANCH 18 24 ATOM 24 O LIG 1 5.449 -1.127 0.105 0.00 0.00 -0.475 OA BRANCH 24 25 ATOM 25 C LIG 1 6.274 -0.002 -0.250 0.00 0.00 +0.200 C ATOM 26 C LIG 1 7.304 0.183 0.881 0.00 0.00 +0.067 C ATOM 27 C LIG 1 7.077 -0.433 -1.494 0.00 0.00 +0.067 C BRANCH 25 28 ATOM 28 C LIG 1 5.619 1.370 -0.566 0.00 0.00 +0.348 C ATOM 29 O LIG 1 5.377 1.826 -1.675 0.00 0.00 -0.247 OA BRANCH 28 30 ATOM 30 O LIG 1 5.285 2.087 0.529 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 4.818 2.867 0.166 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 18 24 ENDBRANCH 13 22 ENDBRANCH 1 14 BRANCH 1 32 ATOM 32 O LIG 1 -3.468 -1.335 -0.066 0.00 0.00 -0.453 OA BRANCH 32 33 ATOM 33 C LIG 1 -4.384 -1.635 -1.017 0.00 0.00 +0.340 C ATOM 34 O LIG 1 -4.377 -1.249 -2.175 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 C LIG 1 -5.440 -2.521 -0.455 0.00 0.00 +0.059 A ATOM 36 C LIG 1 -5.395 -3.006 0.861 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -6.414 -3.834 1.338 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.479 -4.182 0.509 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.530 -3.705 -0.800 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -6.514 -2.877 -1.282 0.00 0.00 +0.015 A ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 12