REMARK Name = BDB040270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.761 0.436 -0.987 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.158 1.770 -0.722 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.244 2.744 -0.278 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.922 2.343 -0.109 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.262 3.130 0.355 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.350 2.161 0.320 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.899 0.903 -0.094 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -1.483 -0.159 -0.221 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.537 1.034 -0.372 0.00 0.00 +0.043 A ATOM 10 C LIG 1 1.421 0.067 -0.811 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.678 2.505 0.695 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.726 1.578 0.612 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -5.061 1.859 1.000 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -5.304 3.153 1.485 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.288 4.105 1.561 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.987 3.784 1.168 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -6.201 0.694 0.909 0.00 0.00 +0.013 C ATOM 18 C LIG 1 -7.695 1.151 0.736 0.00 0.00 +0.087 C ATOM 19 C LIG 1 -7.495 1.079 -0.790 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -7.111 2.234 -1.387 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -8.546 0.611 -1.499 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -6.360 0.065 -0.530 0.00 0.00 +0.087 C BRANCH 17 23 ATOM 23 C LIG 1 -5.962 -0.256 2.103 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -6.624 -1.585 2.014 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -6.016 -2.740 1.598 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -4.654 -2.908 1.159 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -6.962 -3.715 1.673 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -8.086 -3.201 2.111 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -7.875 -1.860 2.329 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 2.671 4.156 0.013 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.977 5.063 -0.728 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.986 4.401 -0.229 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.452 4.500 1.312 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 3.785 -0.576 -1.465 0.00 0.00 +0.120 C BRANCH 34 39 ATOM 35 C LIG 1 6.324 -4.604 -0.423 0.00 0.00 +0.105 C ATOM 36 N LIG 1 6.163 -3.383 0.359 0.00 0.00 -0.303 NA ATOM 37 C LIG 1 6.915 -2.251 -0.219 0.00 0.00 +0.103 C ATOM 38 C LIG 1 6.082 -1.333 -1.166 0.00 0.00 +0.074 C ATOM 39 N LIG 1 4.888 -0.744 -0.509 0.00 0.00 -0.293 NA ATOM 40 C LIG 1 4.482 -1.534 0.674 0.00 0.00 +0.100 C ATOM 41 C LIG 1 4.736 -3.050 0.527 0.00 0.00 +0.099 C BRANCH 38 42 ATOM 42 C LIG 1 6.933 -0.174 -1.636 0.00 0.00 +0.007 C ATOM 43 C LIG 1 6.815 0.361 -3.043 0.00 0.00 +0.005 C ATOM 44 C LIG 1 8.048 -0.391 -2.632 0.00 0.00 +0.005 C ENDBRANCH 38 42 ENDBRANCH 34 39 ENDBRANCH 1 34 TORSDOF 8