REMARK Name = BDB046855 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.280 0.859 -0.638 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.037 0.440 0.459 0.00 0.00 +0.037 A ATOM 3 C LIG 1 -2.388 0.042 0.327 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -2.949 0.070 -0.961 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -2.205 0.483 -2.067 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -0.876 0.875 -1.903 0.00 0.00 +0.027 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.136 -0.391 1.524 0.00 0.00 +0.075 A ATOM 8 N LIG 1 -2.466 -1.226 2.362 0.00 0.00 -0.255 NA ATOM 9 C LIG 1 -3.090 -1.645 3.483 0.00 0.00 +0.112 A ATOM 10 C LIG 1 -4.370 -1.269 3.831 0.00 0.00 +0.034 A ATOM 11 C LIG 1 -5.047 -0.405 2.974 0.00 0.00 +0.062 A ATOM 12 C LIG 1 -4.426 0.044 1.807 0.00 0.00 +0.043 A BRANCH 11 13 ATOM 13 C LIG 1 -6.418 0.011 3.344 0.00 0.00 +0.337 C ATOM 14 O LIG 1 -7.031 -0.360 4.328 0.00 0.00 -0.245 OA BRANCH 13 15 ATOM 15 O LIG 1 -6.959 0.876 2.469 0.00 0.00 -0.477 OA ATOM 16 H LIG 1 -7.848 1.061 2.838 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 11 13 ENDBRANCH 3 7 BRANCH 1 18 ATOM 17 C LIG 1 1.875 1.347 0.558 0.00 0.00 +0.222 C ATOM 18 N LIG 1 1.067 1.270 -0.565 0.00 0.00 -0.285 N ATOM 19 H LIG 1 1.507 1.500 -1.448 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 1.534 1.123 1.716 0.00 0.00 -0.275 OA BRANCH 17 21 ATOM 21 C LIG 1 3.292 1.823 0.258 0.00 0.00 +0.131 C BRANCH 21 24 ATOM 22 C LIG 1 4.693 -0.925 -1.995 0.00 0.00 +0.120 A ATOM 23 C LIG 1 4.091 -0.275 -0.916 0.00 0.00 +0.049 A ATOM 24 C LIG 1 3.957 1.126 -0.908 0.00 0.00 -0.035 A ATOM 25 C LIG 1 4.455 1.869 -1.986 0.00 0.00 +0.004 A ATOM 26 C LIG 1 5.062 1.222 -3.062 0.00 0.00 +0.004 A ATOM 27 C LIG 1 5.176 -0.168 -3.065 0.00 0.00 +0.045 A BRANCH 22 29 ATOM 28 C LIG 1 4.367 -3.093 -1.075 0.00 0.00 +0.277 C ATOM 29 O LIG 1 4.869 -2.275 -2.125 0.00 0.00 -0.495 OA ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 4 30 ATOM 30 O LIG 1 -4.246 -0.329 -1.151 0.00 0.00 -0.506 OA ATOM 31 H LIG 1 -4.431 -0.372 -2.103 0.00 0.00 +0.292 HD ENDBRANCH 4 30 TORSDOF 8