REMARK Name = BDB026539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.112 -0.260 1.239 0.00 0.00 +0.076 C ATOM 2 C LIG 1 -0.127 -0.767 -0.227 0.00 0.00 +0.037 C ATOM 3 C LIG 1 -1.352 -0.262 -1.007 0.00 0.00 +0.055 C ATOM 4 C LIG 1 -1.242 -0.717 -2.468 0.00 0.00 +0.024 C ATOM 5 N LIG 1 -2.615 -0.765 -0.431 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -2.527 -1.069 1.009 0.00 0.00 +0.086 C ATOM 7 C LIG 1 -1.585 -0.118 1.746 0.00 0.00 +0.034 C ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 0.567 -1.342 2.099 0.00 0.00 +0.311 C ATOM 9 O LIG 1 -0.034 -2.084 2.866 0.00 0.00 -0.250 OA BRANCH 8 10 ATOM 10 O LIG 1 1.897 -1.473 1.930 0.00 0.00 -0.480 OA ATOM 11 H LIG 1 2.299 -0.800 1.331 0.00 0.00 +0.295 HD ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 12 ATOM 12 C LIG 1 0.566 1.129 1.449 0.00 0.00 +0.076 C BRANCH 12 15 ATOM 13 C LIG 1 3.925 0.813 -0.108 0.00 0.00 +0.124 A ATOM 14 N LIG 1 2.799 0.541 0.608 0.00 0.00 -0.234 NA ATOM 15 C LIG 1 1.782 1.450 0.608 0.00 0.00 +0.079 A ATOM 16 C LIG 1 1.854 2.639 -0.105 0.00 0.00 +0.145 A ATOM 17 F LIG 1 0.848 3.522 -0.091 0.00 0.00 -0.204 F ATOM 18 C LIG 1 2.984 2.903 -0.857 0.00 0.00 +0.043 A ATOM 19 C LIG 1 4.028 1.978 -0.861 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 20 N LIG 1 4.916 -0.160 -0.040 0.00 0.00 -0.283 N ATOM 21 H LIG 1 4.572 -0.981 0.445 0.00 0.00 +0.155 HD BRANCH 20 27 ATOM 22 C LIG 1 9.638 0.810 -1.296 0.00 0.00 +0.065 C ATOM 23 C LIG 1 8.321 0.247 -0.929 0.00 0.00 +0.035 A ATOM 24 N LIG 1 8.124 -1.089 -0.728 0.00 0.00 -0.280 N ATOM 25 H LIG 1 8.800 -1.842 -0.801 0.00 0.00 +0.189 HD ATOM 26 N LIG 1 6.870 -1.397 -0.372 0.00 0.00 -0.158 NA ATOM 27 C LIG 1 6.218 -0.231 -0.375 0.00 0.00 +0.146 A ATOM 28 C LIG 1 7.097 0.832 -0.688 0.00 0.00 +0.068 A ENDBRANCH 20 27 ENDBRANCH 13 20 ENDBRANCH 12 15 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 C LIG 1 -3.744 0.142 -0.735 0.00 0.00 +0.122 C BRANCH 29 30 ATOM 30 C LIG 1 -5.103 -0.505 -0.589 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -6.160 0.206 -0.010 0.00 0.00 +0.131 A ATOM 32 F LIG 1 -5.942 1.450 0.446 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -7.441 -0.344 0.105 0.00 0.00 -0.015 A ATOM 34 C LIG 1 -8.540 0.428 0.770 0.00 0.00 +0.047 C ATOM 35 C LIG 1 -7.661 -1.645 -0.359 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -6.623 -2.364 -0.953 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -5.354 -1.795 -1.076 0.00 0.00 +0.008 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8