REMARK Name = BDB005264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.409 0.707 -0.836 0.00 0.00 +0.149 A ATOM 2 N LIG 1 0.535 -0.377 -0.697 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.709 0.143 -0.873 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.121 -0.293 -0.863 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.778 1.031 -1.117 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.846 2.075 -1.368 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -2.042 3.224 -1.728 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.557 1.461 -1.157 0.00 0.00 +0.150 A ATOM 9 N LIG 1 0.747 1.815 -1.171 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.188 1.167 -1.249 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.901 2.280 -0.750 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.283 3.390 0.060 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.293 2.362 -0.965 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.985 1.343 -1.615 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -6.288 0.231 -2.061 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -7.129 -1.043 -2.858 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.908 0.140 -1.882 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.544 -0.932 0.455 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -3.000 -2.269 0.536 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -3.141 -3.158 -0.671 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -3.377 -2.795 1.787 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -3.290 -2.022 2.943 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.748 -2.695 4.458 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.835 -0.713 2.878 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.467 -0.174 1.645 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 27 ATOM 26 C LIG 1 3.515 0.629 0.520 0.00 0.00 +0.230 A ATOM 27 C LIG 1 2.853 0.668 -0.687 0.00 0.00 +0.097 A ATOM 28 C LIG 1 3.684 0.735 -1.778 0.00 0.00 +0.131 A ATOM 29 N LIG 1 5.031 0.689 -1.705 0.00 0.00 -0.222 NA ATOM 30 C LIG 1 5.593 0.611 -0.486 0.00 0.00 +0.220 A ATOM 31 N LIG 1 4.859 0.580 0.638 0.00 0.00 -0.179 NA BRANCH 30 32 ATOM 32 N LIG 1 6.983 0.529 -0.387 0.00 0.00 -0.306 N ATOM 33 C LIG 1 7.517 0.930 0.905 0.00 0.00 +0.132 C ATOM 34 C LIG 1 7.695 1.006 -1.563 0.00 0.00 +0.132 C ENDBRANCH 30 32 BRANCH 26 36 ATOM 35 C LIG 1 3.517 0.707 2.867 0.00 0.00 +0.279 C ATOM 36 O LIG 1 2.748 0.626 1.672 0.00 0.00 -0.479 OA ENDBRANCH 26 36 ENDBRANCH 1 27 BRANCH 2 37 ATOM 37 C LIG 1 0.824 -1.791 -0.484 0.00 0.00 +0.083 C ATOM 38 C LIG 1 1.837 -2.374 -1.469 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.180 -2.124 0.962 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6