REMARK Name = BDB062484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.434 1.502 -0.283 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 0.780 2.244 -0.649 0.00 0.00 +0.107 C ATOM 3 C LIG 1 1.907 1.189 -0.609 0.00 0.00 +0.086 C ATOM 4 C LIG 1 1.312 0.033 0.201 0.00 0.00 +0.039 C ATOM 5 C LIG 1 0.007 0.575 0.762 0.00 0.00 +0.086 C ENDROOT BRANCH 3 6 ATOM 6 N LIG 1 3.107 1.741 0.029 0.00 0.00 -0.339 N ATOM 7 H LIG 1 2.924 2.158 0.940 0.00 0.00 +0.146 HD BRANCH 6 8 ATOM 8 C LIG 1 4.323 1.058 -0.001 0.00 0.00 +0.046 A ATOM 9 C LIG 1 4.658 0.039 -0.897 0.00 0.00 +0.134 A ATOM 10 N LIG 1 5.863 -0.583 -0.967 0.00 0.00 -0.249 NA ATOM 11 C LIG 1 6.816 -0.139 -0.104 0.00 0.00 +0.125 A ATOM 12 C LIG 1 6.613 0.891 0.800 0.00 0.00 +0.035 A ATOM 13 C LIG 1 5.357 1.496 0.836 0.00 0.00 +0.027 A BRANCH 11 14 ATOM 14 C LIG 1 8.151 -0.819 -0.178 0.00 0.00 +0.262 C ATOM 15 N LIG 1 8.214 -1.841 -1.101 0.00 0.00 -0.313 N ATOM 16 H LIG 1 7.394 -1.956 -1.692 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 9.440 -2.523 -1.414 0.00 0.00 +0.128 C ATOM 18 O LIG 1 9.090 -0.468 0.528 0.00 0.00 -0.269 OA ENDBRANCH 11 14 ENDBRANCH 6 8 ENDBRANCH 3 6 BRANCH 1 19 ATOM 19 C LIG 1 -1.513 2.395 0.148 0.00 0.00 +0.121 C BRANCH 19 29 ATOM 20 C LIG 1 -7.069 -1.008 0.136 0.00 0.00 +0.019 A ATOM 21 C LIG 1 -6.408 -1.182 -1.201 0.00 0.00 +0.252 A ATOM 22 O LIG 1 -6.910 -1.865 -2.088 0.00 0.00 -0.268 OA ATOM 23 N LIG 1 -5.211 -0.542 -1.393 0.00 0.00 -0.321 N ATOM 24 H LIG 1 -4.776 -0.672 -2.296 0.00 0.00 +0.169 HD ATOM 25 C LIG 1 -4.605 0.258 -0.418 0.00 0.00 +0.068 A ATOM 26 C LIG 1 -5.220 0.433 0.819 0.00 0.00 +0.088 A ATOM 27 N LIG 1 -4.706 1.187 1.814 0.00 0.00 -0.253 NA ATOM 28 C LIG 1 -3.522 1.790 1.556 0.00 0.00 +0.116 A ATOM 29 C LIG 1 -2.822 1.674 0.354 0.00 0.00 -0.013 A ATOM 30 C LIG 1 -3.392 0.890 -0.657 0.00 0.00 +0.034 A ATOM 31 C LIG 1 -6.495 -0.230 1.071 0.00 0.00 +0.038 A BRANCH 20 33 ATOM 32 C LIG 1 -8.222 -3.183 0.638 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -8.388 -1.698 0.347 0.00 0.00 +0.037 C ENDBRANCH 20 33 ENDBRANCH 19 29 ENDBRANCH 1 19 TORSDOF 6