REMARK Name = BDB041603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.891 1.115 0.374 0.00 0.00 -0.027 A ATOM 2 C LIG 1 -3.269 1.048 1.647 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -1.899 0.748 1.794 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.170 0.509 0.633 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.280 0.184 0.458 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.425 0.041 -0.987 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.790 0.257 -1.645 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -1.086 0.235 -2.826 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.786 0.558 -0.611 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.127 0.856 -0.773 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.668 -0.280 -1.599 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.845 -0.381 -0.832 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.111 -0.689 -1.389 0.00 0.00 -0.039 A ATOM 14 C LIG 1 4.150 -0.896 -2.779 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.001 -0.811 -3.560 0.00 0.00 +0.002 A ATOM 16 C LIG 1 1.773 -0.505 -2.974 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.455 -0.757 -0.473 0.00 0.00 +0.003 C ATOM 18 C LIG 1 5.279 -1.477 0.916 0.00 0.00 +0.015 C ATOM 19 C LIG 1 6.586 -2.260 0.665 0.00 0.00 -0.012 C ATOM 20 C LIG 1 6.546 -3.731 1.029 0.00 0.00 +0.007 C ATOM 21 C LIG 1 6.450 -1.919 -0.835 0.00 0.00 +0.015 C BRANCH 17 22 ATOM 22 C LIG 1 6.041 0.677 -0.445 0.00 0.00 +0.088 C BRANCH 22 23 ATOM 23 C LIG 1 7.279 0.886 0.355 0.00 0.00 +0.134 A ATOM 24 N LIG 1 8.531 1.117 -0.155 0.00 0.00 -0.320 N ATOM 25 C LIG 1 8.913 1.232 -1.537 0.00 0.00 +0.151 C ATOM 26 C LIG 1 9.355 1.279 0.915 0.00 0.00 +0.224 A ATOM 27 N LIG 1 8.661 1.173 2.021 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 7.353 0.931 1.672 0.00 0.00 -0.135 NA ENDBRANCH 22 23 ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -1.249 0.662 3.148 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.039 1.097 4.167 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.106 1.400 3.216 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.887 -0.612 3.462 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 -5.377 1.474 0.224 0.00 0.00 +0.112 C BRANCH 33 37 ATOM 34 C LIG 1 -10.109 0.235 0.415 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -8.674 -0.259 0.608 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -7.699 0.925 0.758 0.00 0.00 +0.088 C ATOM 37 N LIG 1 -6.280 0.548 0.966 0.00 0.00 -0.293 NA ATOM 38 C LIG 1 -6.050 -0.882 0.683 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -6.729 -1.384 -0.589 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -8.239 -1.136 -0.575 0.00 0.00 +0.006 C ENDBRANCH 33 37 BRANCH 33 41 ATOM 41 C LIG 1 -5.553 2.968 0.651 0.00 0.00 +0.179 C BRANCH 41 42 ATOM 42 O LIG 1 -4.878 3.860 -0.242 0.00 0.00 -0.393 OA ATOM 43 H LIG 1 -3.923 3.701 -0.142 0.00 0.00 +0.209 HD ENDBRANCH 41 42 ENDBRANCH 33 41 ENDBRANCH 1 33 TORSDOF 9