REMARK Name = BDB005745 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.364 0.737 -0.401 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -1.566 0.131 -0.063 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -2.130 1.014 0.853 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -3.332 0.718 1.496 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -3.909 -0.492 1.163 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -3.381 -1.349 0.256 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 -1.366 2.135 0.997 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -2.221 -1.061 -0.390 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -0.339 1.991 0.193 0.00 0.00 +0.200 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -5.179 -0.942 1.784 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -5.785 -0.232 2.751 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -5.525 0.627 3.198 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.891 -0.911 3.095 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.691 -0.571 3.952 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.967 -2.042 2.329 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.817 -2.026 1.480 0.00 0.00 -0.053 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.804 -2.027 -1.390 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -1.816 -1.728 -2.760 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -1.403 -2.686 -3.681 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -1.388 -2.329 -5.359 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -0.992 -3.923 -3.211 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -0.976 -4.259 -1.900 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -1.403 -3.313 -1.027 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 N LIG 1 0.673 2.875 0.018 0.00 0.00 -0.291 N ATOM 25 C LIG 1 0.740 4.165 0.619 0.00 0.00 +0.085 C ATOM 26 C LIG 1 -0.434 5.069 0.896 0.00 0.00 +0.188 C ATOM 27 O LIG 1 0.191 5.481 2.158 0.00 0.00 -0.375 OA ATOM 28 C LIG 1 1.137 4.368 2.051 0.00 0.00 +0.188 C ATOM 29 C LIG 1 1.696 4.605 -0.459 0.00 0.00 +0.049 C ATOM 30 C LIG 1 1.107 3.421 -1.248 0.00 0.00 +0.111 C ENDBRANCH 9 24 BRANCH 1 31 ATOM 31 C LIG 1 0.735 0.145 -1.145 0.00 0.00 +0.128 C BRANCH 31 36 ATOM 32 C LIG 1 4.604 -3.190 0.975 0.00 0.00 +0.007 C ATOM 33 C LIG 1 3.767 -2.632 -0.178 0.00 0.00 -0.014 C ATOM 34 C LIG 1 4.274 -1.235 -0.575 0.00 0.00 +0.003 C ATOM 35 C LIG 1 3.182 -0.425 -1.262 0.00 0.00 +0.005 C ATOM 36 C LIG 1 2.001 -0.146 -0.310 0.00 0.00 +0.009 C ATOM 37 C LIG 1 1.791 -1.293 0.703 0.00 0.00 +0.005 C ATOM 38 C LIG 1 2.265 -2.638 0.162 0.00 0.00 +0.003 C ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 5