REMARK Name = BDB006140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.015 0.398 -0.493 0.00 0.00 +0.048 A ATOM 2 N LIG 1 1.974 -0.564 -0.808 0.00 0.00 -0.263 N ATOM 3 N LIG 1 1.603 -1.832 -0.477 0.00 0.00 -0.166 NA ATOM 4 C LIG 1 0.395 -1.658 0.043 0.00 0.00 +0.153 A ATOM 5 C LIG 1 -0.591 -2.528 0.649 0.00 0.00 +0.272 C ATOM 6 N LIG 1 -1.651 -1.657 1.021 0.00 0.00 -0.254 N ATOM 7 C LIG 1 -1.392 -0.242 0.613 0.00 0.00 +0.146 C ATOM 8 O LIG 1 -0.477 -3.733 0.805 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -0.031 -0.336 0.027 0.00 0.00 +0.031 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.828 -2.046 1.730 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -3.119 -3.393 1.996 0.00 0.00 +0.064 A ATOM 12 C LIG 1 -4.277 -3.755 2.688 0.00 0.00 +0.160 A ATOM 13 F LIG 1 -4.525 -5.051 2.919 0.00 0.00 -0.202 F ATOM 14 C LIG 1 -5.165 -2.789 3.131 0.00 0.00 +0.159 A ATOM 15 F LIG 1 -6.275 -3.138 3.795 0.00 0.00 -0.202 F ATOM 16 C LIG 1 -4.907 -1.450 2.888 0.00 0.00 +0.043 A ATOM 17 C LIG 1 -3.746 -1.083 2.193 0.00 0.00 +0.026 A ENDBRANCH 6 10 BRANCH 7 18 ATOM 18 C LIG 1 -2.309 0.254 -0.493 0.00 0.00 -0.022 A ATOM 19 C LIG 1 -2.920 1.516 -0.371 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -3.778 1.998 -1.363 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.040 1.223 -2.490 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -5.094 1.818 -3.711 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -3.453 -0.031 -2.631 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.596 -0.514 -1.638 0.00 0.00 +0.007 A ENDBRANCH 7 18 BRANCH 1 26 ATOM 25 C LIG 1 0.724 2.705 0.461 0.00 0.00 +0.014 C ATOM 26 C LIG 1 1.212 1.870 -0.722 0.00 0.00 +0.032 C ATOM 27 C LIG 1 0.556 2.319 -2.026 0.00 0.00 +0.014 C ENDBRANCH 1 26 BRANCH 2 28 ATOM 28 C LIG 1 3.269 -0.374 -1.468 0.00 0.00 +0.180 C BRANCH 28 29 ATOM 29 C LIG 1 4.374 -0.014 -0.494 0.00 0.00 -0.009 A ATOM 30 C LIG 1 5.194 1.121 -0.665 0.00 0.00 +0.057 A ATOM 31 C LIG 1 6.219 1.397 0.254 0.00 0.00 +0.019 A ATOM 32 C LIG 1 6.448 0.548 1.335 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.660 -0.584 1.504 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.638 -0.867 0.596 0.00 0.00 +0.007 A BRANCH 30 35 ATOM 35 C LIG 1 5.016 2.025 -1.766 0.00 0.00 +0.099 C ATOM 36 N LIG 1 4.841 2.748 -2.657 0.00 0.00 -0.191 NA ENDBRANCH 30 35 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 6