REMARK Name = BDB026006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.829 0.575 -0.483 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.119 -0.605 -0.165 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.276 -0.586 -0.044 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.007 0.603 -0.226 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.279 1.762 -0.536 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.915 2.931 -0.713 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.110 1.758 -0.664 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.471 0.621 -0.092 0.00 0.00 +0.021 A ATOM 9 C LIG 1 3.158 -0.061 0.892 0.00 0.00 +0.124 A ATOM 10 N LIG 1 4.503 -0.067 1.035 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 5.232 0.640 0.157 0.00 0.00 +0.218 A ATOM 12 N LIG 1 4.662 1.342 -0.835 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 3.313 1.318 -0.935 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 6.620 0.675 0.302 0.00 0.00 -0.295 N ATOM 15 C LIG 1 7.339 1.004 -0.939 0.00 0.00 +0.139 C ATOM 16 C LIG 1 8.852 1.117 -0.657 0.00 0.00 +0.133 C ATOM 17 C LIG 1 9.632 1.331 -1.948 0.00 0.00 +0.039 C ATOM 18 O LIG 1 9.356 -0.082 -0.039 0.00 0.00 -0.371 OA ATOM 19 C LIG 1 8.691 -0.311 1.218 0.00 0.00 +0.133 C ATOM 20 C LIG 1 9.306 -1.556 1.843 0.00 0.00 +0.039 C ATOM 21 C LIG 1 7.170 -0.486 1.020 0.00 0.00 +0.139 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 24 ATOM 22 C LIG 1 -4.885 2.264 -0.557 0.00 0.00 +0.075 C ATOM 23 C LIG 1 -3.980 1.377 0.338 0.00 0.00 +0.124 C ATOM 24 N LIG 1 -3.235 0.500 -0.605 0.00 0.00 -0.327 N ATOM 25 C LIG 1 -3.726 0.756 -1.975 0.00 0.00 +0.107 C ATOM 26 C LIG 1 -5.112 1.361 -1.772 0.00 0.00 +0.039 C BRANCH 22 27 ATOM 27 N LIG 1 -6.074 2.857 0.086 0.00 0.00 -0.301 NA ATOM 28 C LIG 1 -7.085 1.875 0.483 0.00 0.00 +0.105 C BRANCH 27 30 ATOM 29 C LIG 1 -7.670 4.786 -0.027 0.00 0.00 +0.020 C ATOM 30 C LIG 1 -6.657 3.914 -0.762 0.00 0.00 +0.081 C ENDBRANCH 27 30 ENDBRANCH 22 27 ENDBRANCH 1 24 BRANCH 2 31 ATOM 31 N LIG 1 -1.915 -1.754 0.024 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.906 -1.543 -0.088 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.511 -3.028 0.330 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.365 -3.437 0.456 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -2.655 -3.977 0.458 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -3.660 -3.909 1.513 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -4.645 -4.830 1.543 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -4.713 -5.901 0.518 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -5.614 -6.728 0.526 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -3.711 -5.892 -0.419 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -3.744 -6.636 -1.108 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -2.700 -4.963 -0.452 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -3.549 -2.840 2.555 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -2.312 -2.768 3.102 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.416 -3.032 3.584 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.838 -1.619 2.040 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 8