REMARK Name = BDB056208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.917 0.914 -2.062 0.00 0.00 +0.072 C ATOM 2 C LIG 1 -0.524 0.620 -1.563 0.00 0.00 +0.034 C ATOM 3 C LIG 1 -1.564 1.553 -2.204 0.00 0.00 +0.090 C ATOM 4 C LIG 1 -1.458 1.509 -3.728 0.00 0.00 +0.093 C ATOM 5 N LIG 1 -0.099 1.839 -4.170 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 -0.068 1.788 -5.189 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 0.873 0.883 -3.615 0.00 0.00 +0.099 C ENDROOT BRANCH 1 12 ATOM 8 N LIG 1 3.979 -0.943 0.436 0.00 0.00 -0.268 N ATOM 9 C LIG 1 2.942 -0.198 1.001 0.00 0.00 +0.234 C ATOM 10 O LIG 1 2.729 -0.102 2.212 0.00 0.00 -0.274 OA ATOM 11 C LIG 1 2.110 0.635 0.028 0.00 0.00 +0.181 C ATOM 12 N LIG 1 1.842 0.013 -1.306 0.00 0.00 -0.283 NA ATOM 13 C LIG 1 3.108 -0.477 -1.913 0.00 0.00 +0.033 C ATOM 14 C LIG 1 4.125 0.639 -2.232 0.00 0.00 +0.029 C ATOM 15 C LIG 1 2.883 -1.334 -3.184 0.00 0.00 +0.029 C ATOM 16 C LIG 1 3.750 -1.481 -0.897 0.00 0.00 +0.135 C BRANCH 8 19 ATOM 17 C LIG 1 5.586 0.636 2.421 0.00 0.00 +0.045 C ATOM 18 C LIG 1 5.689 -0.857 2.244 0.00 0.00 -0.029 A ATOM 19 C LIG 1 4.945 -1.584 1.283 0.00 0.00 +0.042 A ATOM 20 C LIG 1 5.201 -2.957 1.137 0.00 0.00 +0.062 A ATOM 21 C LIG 1 6.120 -3.599 1.960 0.00 0.00 +0.125 A ATOM 22 F LIG 1 6.329 -4.914 1.810 0.00 0.00 -0.205 F ATOM 23 C LIG 1 6.816 -2.905 2.935 0.00 0.00 +0.039 A ATOM 24 C LIG 1 6.601 -1.538 3.077 0.00 0.00 +0.008 A ENDBRANCH 8 19 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 C LIG 1 -2.970 1.163 -1.759 0.00 0.00 +0.218 C ATOM 26 N LIG 1 -3.206 1.386 -0.418 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -2.436 1.686 0.161 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 -3.810 0.705 -2.526 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.390 0.848 0.262 0.00 0.00 +0.122 C BRANCH 29 30 ATOM 30 C LIG 1 -4.023 -0.467 0.946 0.00 0.00 +0.062 A ATOM 31 N LIG 1 -4.638 -1.591 0.492 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 -4.299 -2.770 1.068 0.00 0.00 +0.149 A ATOM 33 C LIG 1 -3.370 -2.884 2.083 0.00 0.00 +0.141 A ATOM 34 F LIG 1 -3.077 -4.077 2.613 0.00 0.00 -0.204 F ATOM 35 C LIG 1 -2.743 -1.740 2.545 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -3.070 -0.512 1.971 0.00 0.00 +0.028 A ENDBRANCH 29 30 BRANCH 29 37 ATOM 37 C LIG 1 -4.955 1.925 1.215 0.00 0.00 +0.031 C BRANCH 37 38 ATOM 38 C LIG 1 -6.432 1.741 1.626 0.00 0.00 -0.015 C ATOM 39 C LIG 1 -6.930 3.018 2.314 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -6.665 0.551 2.555 0.00 0.00 +0.007 C ENDBRANCH 37 38 ENDBRANCH 29 37 ENDBRANCH 26 29 ENDBRANCH 3 25 TORSDOF 7