REMARK Name = BDB010865 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.037 0.635 0.484 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.787 1.026 0.984 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.693 1.469 2.292 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.576 1.809 2.617 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 1.310 1.648 1.526 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.718 1.562 3.149 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.874 1.199 2.587 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.513 1.137 0.498 0.00 0.00 -0.320 N ATOM 9 N LIG 1 -3.075 0.760 1.333 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.059 1.282 3.468 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.911 1.728 4.726 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.056 2.028 5.168 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.122 1.698 5.296 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.386 2.030 6.440 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.024 1.228 4.373 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.280 0.964 3.178 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 2.812 1.981 1.521 0.00 0.00 +0.191 C ATOM 18 F LIG 1 3.029 2.886 2.545 0.00 0.00 -0.229 F ATOM 19 C LIG 1 3.595 0.740 1.974 0.00 0.00 +0.061 C BRANCH 17 20 ATOM 20 C LIG 1 3.314 2.638 0.236 0.00 0.00 -0.004 A ATOM 21 C LIG 1 2.819 3.914 -0.098 0.00 0.00 +0.007 A ATOM 22 C LIG 1 3.235 4.570 -1.257 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.166 3.968 -2.099 0.00 0.00 +0.000 A ATOM 24 C LIG 1 4.689 2.719 -1.775 0.00 0.00 +0.000 A ATOM 25 C LIG 1 4.274 2.061 -0.613 0.00 0.00 +0.007 A ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 N LIG 1 -2.247 0.151 -0.793 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -1.486 -0.411 -1.143 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 -4.683 0.705 -1.075 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -3.550 -0.298 -1.298 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 -3.973 -1.709 -0.878 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -3.028 -2.889 -1.245 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -3.601 -3.627 -0.016 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -3.891 -2.236 0.586 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 0.902 0.863 -0.873 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.703 -0.432 -1.103 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.898 -0.676 -2.604 0.00 0.00 +0.005 C ATOM 37 C LIG 1 2.857 -1.839 -2.871 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.693 -3.028 -1.907 0.00 0.00 -0.014 C ATOM 39 C LIG 1 3.864 -3.120 -0.923 0.00 0.00 +0.007 C ATOM 40 C LIG 1 1.349 -2.980 -1.176 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.111 -1.675 -0.412 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8