REMARK Name = BDB025718 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.429 -0.637 0.319 0.00 0.00 +0.021 A ATOM 2 C LIG 1 1.725 -1.838 0.506 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.385 -2.967 0.808 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.337 -1.910 0.400 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.402 -0.764 0.099 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.285 0.457 -0.097 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.678 0.513 0.011 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.814 -0.769 -0.011 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.342 -1.663 -1.070 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.295 -2.765 -0.521 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.803 -3.594 -1.709 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.430 -2.203 0.258 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.144 -3.233 1.017 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.007 -1.093 1.155 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.658 0.199 0.644 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.471 -0.925 1.306 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 21 ATOM 17 C LIG 1 6.126 -1.429 -0.054 0.00 0.00 +0.182 A ATOM 18 C LIG 1 6.638 -0.379 0.714 0.00 0.00 +0.258 A ATOM 19 N LIG 1 5.869 0.546 1.335 0.00 0.00 -0.218 NA ATOM 20 C LIG 1 4.530 0.425 1.182 0.00 0.00 +0.123 A ATOM 21 C LIG 1 3.897 -0.573 0.440 0.00 0.00 +0.007 A ATOM 22 C LIG 1 4.737 -1.510 -0.186 0.00 0.00 +0.061 A BRANCH 17 24 ATOM 23 C LIG 1 6.503 -3.405 -1.333 0.00 0.00 +0.277 C ATOM 24 O LIG 1 7.024 -2.290 -0.624 0.00 0.00 -0.490 OA ENDBRANCH 17 24 BRANCH 18 25 ATOM 25 O LIG 1 8.014 -0.297 0.841 0.00 0.00 -0.477 OA ATOM 26 C LIG 1 8.444 0.808 1.626 0.00 0.00 +0.279 C ENDBRANCH 18 25 ENDBRANCH 1 21 BRANCH 6 27 ATOM 27 N LIG 1 -0.533 1.564 -0.404 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -1.519 1.306 -0.440 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -0.155 2.857 -0.660 0.00 0.00 +0.250 C ATOM 30 O LIG 1 0.979 3.315 -0.692 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -1.318 3.735 -0.964 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -2.267 4.197 0.042 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -3.289 4.992 -0.334 0.00 0.00 +0.083 A ATOM 34 C LIG 1 -3.451 5.396 -1.754 0.00 0.00 +0.249 A ATOM 35 O LIG 1 -4.383 6.106 -2.107 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -2.497 4.924 -2.620 0.00 0.00 -0.328 N ATOM 37 H LIG 1 -2.597 5.214 -3.587 0.00 0.00 +0.168 HD ATOM 38 C LIG 1 -1.450 4.119 -2.244 0.00 0.00 +0.099 A BRANCH 32 39 ATOM 39 C LIG 1 -2.055 3.799 1.469 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -2.915 4.428 2.313 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.807 4.080 1.911 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.258 2.469 1.649 0.00 0.00 -0.166 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 6 27 TORSDOF 7