REMARK Name = BDB025896 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.959 -0.194 0.484 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.702 -1.542 0.744 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.702 -2.390 1.032 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.590 -2.059 0.695 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.685 -1.243 0.383 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.450 0.129 0.124 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.140 0.632 0.183 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.937 -1.866 0.346 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.562 -2.043 -0.975 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.767 -3.023 -0.885 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.410 -3.207 -2.265 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.757 -2.673 0.177 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.514 -1.455 -0.112 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.025 -2.619 1.480 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.948 -2.360 2.675 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.829 -1.624 1.493 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 N LIG 1 5.124 1.149 0.546 0.00 0.00 -0.295 NA ATOM 18 C LIG 1 4.452 0.864 1.829 0.00 0.00 +0.089 C ATOM 19 C LIG 1 3.227 -0.058 1.691 0.00 0.00 +0.051 C ATOM 20 C LIG 1 2.325 0.372 0.555 0.00 0.00 -0.039 C ATOM 21 C LIG 1 2.773 1.264 -0.351 0.00 0.00 -0.007 C ATOM 22 C LIG 1 4.154 1.868 -0.311 0.00 0.00 +0.112 C BRANCH 17 29 ATOM 23 C LIG 1 8.461 -0.099 -2.908 0.00 0.00 +0.038 C ATOM 24 C LIG 1 7.715 -0.516 -1.647 0.00 0.00 +0.117 C ATOM 25 O LIG 1 8.650 -0.472 -0.567 0.00 0.00 -0.374 OA ATOM 26 C LIG 1 8.082 -0.550 0.745 0.00 0.00 +0.117 C ATOM 27 C LIG 1 8.359 0.760 1.473 0.00 0.00 +0.038 C ATOM 28 C LIG 1 6.605 -0.945 0.747 0.00 0.00 +0.050 C ATOM 29 C LIG 1 5.716 -0.037 -0.134 0.00 0.00 +0.062 C ATOM 30 C LIG 1 6.530 0.409 -1.377 0.00 0.00 +0.050 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.561 0.951 -0.171 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.448 0.472 -0.112 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.567 2.272 -0.551 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.614 3.011 -0.752 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.950 2.777 -0.780 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -4.854 3.157 0.298 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -6.092 3.596 -0.007 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -6.532 3.694 -1.421 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -7.660 4.072 -1.709 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -5.602 3.328 -2.362 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -5.896 3.417 -3.329 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -4.338 2.886 -2.060 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -4.367 3.066 1.711 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -5.267 3.565 2.599 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.210 3.737 1.911 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.157 1.774 2.072 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6