REMARK Name = BDB005842 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.717 -0.106 1.244 0.00 0.00 +0.140 A ATOM 2 N LIG 1 0.434 0.369 1.012 0.00 0.00 -0.323 N ATOM 3 C LIG 1 0.534 1.680 0.571 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.909 1.868 0.418 0.00 0.00 +0.094 A ATOM 5 C LIG 1 2.420 3.058 -0.095 0.00 0.00 +0.061 A ATOM 6 C LIG 1 1.479 4.010 -0.422 0.00 0.00 +0.112 A ATOM 7 N LIG 1 0.139 3.868 -0.256 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -0.361 2.715 0.264 0.00 0.00 +0.099 A ATOM 9 N LIG 1 2.608 0.778 0.844 0.00 0.00 -0.229 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 1.903 5.303 -0.984 0.00 0.00 +0.201 A ATOM 11 N LIG 1 0.977 6.227 -1.269 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -0.018 6.146 -1.137 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 1.626 7.290 -1.758 0.00 0.00 +0.440 A ATOM 14 O LIG 1 1.118 8.335 -2.131 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 2.971 7.007 -1.773 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.110 5.678 -1.250 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.797 2.707 0.481 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -2.699 2.744 -0.590 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -4.069 2.749 -0.343 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -5.188 2.766 -1.643 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -4.504 2.726 0.972 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -3.668 2.708 2.038 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -2.341 2.721 1.766 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 2.036 -1.443 1.875 0.00 0.00 +0.184 C BRANCH 24 25 ATOM 25 C LIG 1 2.325 -1.252 3.371 0.00 0.00 +0.036 C ATOM 26 C LIG 1 2.584 -2.575 4.080 0.00 0.00 +0.007 C ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 O LIG 1 3.212 -1.987 1.260 0.00 0.00 -0.369 OA BRANCH 27 28 ATOM 28 C LIG 1 2.984 -2.511 -0.046 0.00 0.00 +0.160 C BRANCH 28 30 ATOM 29 C LIG 1 4.155 -3.657 -1.960 0.00 0.00 +0.006 C ATOM 30 C LIG 1 4.302 -3.069 -0.568 0.00 0.00 +0.025 C ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 2 31 ATOM 31 C LIG 1 -0.774 -0.423 1.193 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 -1.013 -1.471 0.083 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -1.459 -0.846 -1.255 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -2.975 -0.871 -1.429 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -3.538 -2.304 -1.418 0.00 0.00 -0.014 C ATOM 36 C LIG 1 -3.695 -2.856 -2.835 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -2.686 -3.261 -0.566 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -2.017 -2.527 0.590 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9