REMARK Name = BDB010592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.381 0.126 -0.103 0.00 0.00 -0.308 N ATOM 2 C LIG 1 0.555 1.462 0.178 0.00 0.00 +0.115 A ATOM 3 C LIG 1 1.312 1.457 1.342 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.688 2.560 2.010 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 1.249 3.686 1.430 0.00 0.00 +0.202 A ATOM 6 N LIG 1 0.525 3.804 0.301 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 1.642 0.195 1.729 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 0.170 2.682 -0.363 0.00 0.00 +0.101 A ATOM 9 C LIG 1 1.109 -0.593 0.829 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 1.173 -1.950 0.769 0.00 0.00 -0.293 N ATOM 11 C LIG 1 2.424 -2.549 0.246 0.00 0.00 +0.105 C ATOM 12 C LIG 1 3.555 -2.493 1.280 0.00 0.00 +0.139 C ATOM 13 C LIG 1 4.728 -3.034 0.479 0.00 0.00 +0.033 C ATOM 14 C LIG 1 4.521 -2.455 -0.928 0.00 0.00 +0.004 C ATOM 15 O LIG 1 3.219 -3.282 2.419 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 2.042 -2.715 3.036 0.00 0.00 +0.179 C ATOM 17 C LIG 1 3.072 -1.936 -0.985 0.00 0.00 +0.025 C ATOM 18 C LIG 1 0.840 -2.632 2.063 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 1.621 4.938 2.127 0.00 0.00 +0.220 A ATOM 20 N LIG 1 2.349 4.869 3.255 0.00 0.00 -0.269 N ATOM 21 H LIG 1 2.691 4.038 3.710 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 2.541 6.127 3.671 0.00 0.00 +0.440 A ATOM 23 O LIG 1 3.161 6.466 4.666 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 1.923 6.976 2.787 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 1.327 6.149 1.780 0.00 0.00 -0.051 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 -0.571 2.872 -1.600 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -1.922 3.246 -1.572 0.00 0.00 +0.030 A ATOM 28 C LIG 1 -2.631 3.423 -2.760 0.00 0.00 +0.042 A ATOM 29 CL LIG 1 -4.297 3.848 -2.703 0.00 0.00 -0.084 Cl ATOM 30 C LIG 1 -2.004 3.249 -3.991 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -0.655 2.904 -4.036 0.00 0.00 +0.002 A ATOM 32 C LIG 1 0.058 2.720 -2.849 0.00 0.00 +0.010 A ENDBRANCH 8 26 BRANCH 1 33 ATOM 33 C LIG 1 -0.429 -0.479 -1.146 0.00 0.00 +0.128 C BRANCH 33 38 ATOM 34 C LIG 1 -4.197 -3.273 0.440 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -4.483 -1.963 -0.301 0.00 0.00 -0.014 C ATOM 36 C LIG 1 -3.914 -1.986 -1.722 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.385 -1.944 -1.772 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -1.743 -1.110 -0.646 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -2.735 -0.076 -0.106 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -3.978 -0.744 0.492 0.00 0.00 +0.003 C ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 5