REMARK Name = BDB060646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.665 0.529 0.795 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.082 -0.609 0.525 0.00 0.00 -0.290 N ATOM 3 C LIG 1 -1.454 -0.717 1.024 0.00 0.00 +0.107 C ATOM 4 C LIG 1 -1.797 -2.208 0.881 0.00 0.00 +0.029 C ATOM 5 C LIG 1 -0.440 -2.885 1.010 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.483 -1.928 0.269 0.00 0.00 +0.109 C ATOM 7 O LIG 1 0.258 1.460 1.486 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.432 0.168 0.277 0.00 0.00 -0.027 A ATOM 9 C LIG 1 -2.498 0.170 -1.127 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -3.413 0.986 -1.797 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.269 1.808 -1.069 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 -5.396 2.813 -1.894 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 -4.217 1.823 0.322 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -3.302 1.006 0.992 0.00 0.00 +0.007 A ENDBRANCH 3 8 BRANCH 1 18 ATOM 15 C LIG 1 4.613 0.897 -0.820 0.00 0.00 +0.052 A ATOM 16 C LIG 1 3.571 0.438 -1.635 0.00 0.00 +0.019 A ATOM 17 C LIG 1 2.279 0.310 -1.117 0.00 0.00 +0.014 A ATOM 18 C LIG 1 2.030 0.629 0.224 0.00 0.00 +0.037 A ATOM 19 C LIG 1 3.065 1.111 1.032 0.00 0.00 +0.014 A ATOM 20 C LIG 1 4.356 1.238 0.513 0.00 0.00 +0.019 A BRANCH 15 22 ATOM 21 N LIG 1 7.010 1.125 -1.787 0.00 0.00 -0.191 NA ATOM 22 C LIG 1 5.938 1.027 -1.354 0.00 0.00 +0.099 C ENDBRANCH 15 22 ENDBRANCH 1 18 TORSDOF 3