REMARK Name = BDB010672 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.960 2.088 0.446 0.00 0.00 +0.102 A ATOM 2 C LIG 1 -1.651 0.750 0.237 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -2.483 -0.223 0.772 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -2.080 -1.474 0.424 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.022 -1.311 -0.334 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -3.566 0.038 1.521 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.772 1.343 1.701 0.00 0.00 +0.202 A ATOM 8 N LIG 1 -0.660 0.025 -0.392 0.00 0.00 -0.308 N ATOM 9 N LIG 1 -3.041 2.373 1.209 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -0.303 -2.289 -0.955 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -0.451 -3.642 -0.369 0.00 0.00 +0.105 C ATOM 12 C LIG 1 0.183 -4.678 -1.309 0.00 0.00 +0.139 C ATOM 13 C LIG 1 0.229 -5.926 -0.446 0.00 0.00 +0.033 C ATOM 14 C LIG 1 0.525 -5.399 0.964 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -0.554 -4.844 -2.518 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -1.170 -3.607 -2.932 0.00 0.00 +0.179 C ATOM 17 C LIG 1 0.342 -3.875 0.908 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -0.430 -2.337 -2.447 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 1 21 ATOM 19 C LIG 1 -2.330 2.967 -2.384 0.00 0.00 +0.066 C ATOM 20 C LIG 1 -1.384 3.649 -1.434 0.00 0.00 +0.048 A ATOM 21 C LIG 1 -1.240 3.227 -0.102 0.00 0.00 +0.025 A ATOM 22 C LIG 1 -0.389 3.978 0.725 0.00 0.00 +0.033 A ATOM 23 C LIG 1 0.310 5.062 0.208 0.00 0.00 +0.060 A ATOM 24 CL LIG 1 1.377 5.966 1.201 0.00 0.00 -0.082 Cl ATOM 25 C LIG 1 0.135 5.379 -1.125 0.00 0.00 +0.131 A ATOM 26 N LIG 1 -0.691 4.697 -1.954 0.00 0.00 -0.258 NA ENDBRANCH 1 21 BRANCH 7 27 ATOM 27 C LIG 1 -4.939 1.739 2.521 0.00 0.00 +0.220 A ATOM 28 N LIG 1 -5.190 3.044 2.714 0.00 0.00 -0.269 N ATOM 29 H LIG 1 -4.668 3.826 2.357 0.00 0.00 +0.174 HD ATOM 30 C LIG 1 -6.286 3.121 3.479 0.00 0.00 +0.440 A ATOM 31 O LIG 1 -6.819 4.150 3.863 0.00 0.00 -0.221 OA ATOM 32 O LIG 1 -6.711 1.847 3.760 0.00 0.00 -0.295 OA ATOM 33 N LIG 1 -5.792 0.962 3.107 0.00 0.00 -0.051 NA ENDBRANCH 7 27 BRANCH 8 34 ATOM 34 C LIG 1 0.574 0.542 -0.959 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 1.635 0.961 0.080 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.745 1.762 -0.635 0.00 0.00 +0.005 C ATOM 37 C LIG 1 4.077 1.668 0.097 0.00 0.00 +0.003 C ATOM 38 C LIG 1 4.595 0.218 0.125 0.00 0.00 -0.014 C ATOM 39 C LIG 1 5.606 0.044 1.259 0.00 0.00 +0.007 C ATOM 40 C LIG 1 3.455 -0.813 0.225 0.00 0.00 +0.003 C ATOM 41 C LIG 1 2.210 -0.225 0.880 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 5