REMARK Name = BDB026205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.464 -0.570 -0.377 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.540 0.355 0.015 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.877 -0.044 0.128 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.259 -1.365 -0.152 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.260 -2.261 -0.551 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.579 -3.531 -0.851 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.076 -1.879 -0.663 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.040 -1.615 2.291 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.312 -1.609 0.937 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.243 -1.804 -0.217 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.967 -3.077 -0.107 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.478 -1.726 -1.498 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.404 -1.766 -2.727 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.603 -0.443 -1.627 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.796 -0.124 -0.435 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.540 -0.265 0.834 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.663 -1.785 -0.037 0.00 0.00 +0.021 A ATOM 18 C LIG 1 4.051 -2.810 0.839 0.00 0.00 +0.134 A ATOM 19 F LIG 1 3.138 -3.419 1.610 0.00 0.00 -0.205 F ATOM 20 C LIG 1 5.378 -3.212 0.951 0.00 0.00 +0.078 A ATOM 21 C LIG 1 6.349 -2.587 0.177 0.00 0.00 +0.138 A ATOM 22 F LIG 1 7.619 -3.002 0.309 0.00 0.00 -0.205 F ATOM 23 C LIG 1 6.011 -1.562 -0.709 0.00 0.00 +0.072 A ATOM 24 C LIG 1 4.665 -1.165 -0.807 0.00 0.00 +0.027 A BRANCH 23 25 ATOM 25 C LIG 1 7.011 -0.869 -1.562 0.00 0.00 +0.244 C ATOM 26 O LIG 1 6.673 0.000 -2.358 0.00 0.00 -0.270 OA ATOM 27 N LIG 1 8.323 -1.222 -1.443 0.00 0.00 -0.325 N ATOM 28 H LIG 1 8.997 -0.745 -2.026 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 8.652 -1.936 -0.804 0.00 0.00 +0.145 HD ENDBRANCH 23 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 0.098 1.678 0.237 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -0.899 1.780 0.055 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 0.842 2.776 0.587 0.00 0.00 +0.250 C ATOM 33 O LIG 1 2.043 2.832 0.809 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 0.024 4.019 0.643 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -0.892 4.336 1.732 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -1.579 5.496 1.696 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -1.410 6.442 0.564 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -2.038 7.490 0.516 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -0.515 6.058 -0.404 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -0.385 6.711 -1.169 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 0.193 4.883 -0.370 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -1.020 3.373 2.870 0.00 0.00 +0.418 C ATOM 43 F LIG 1 0.174 3.044 3.417 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.785 3.866 3.879 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.617 2.219 2.475 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6