REMARK Name = BDB010868 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.750 -0.499 0.881 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.381 -0.734 1.040 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.068 -1.359 2.197 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.407 -1.595 2.167 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 -1.810 -1.145 0.996 0.00 0.00 +0.149 A ATOM 6 N LIG 1 0.714 -1.730 3.222 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.002 -1.451 2.995 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.775 -0.531 0.314 0.00 0.00 -0.321 N ATOM 9 N LIG 1 2.542 -0.880 1.905 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.929 -1.827 4.085 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.439 -2.422 5.186 0.00 0.00 -0.269 N ATOM 12 H LIG 1 1.478 -2.657 5.372 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.476 -2.649 6.001 0.00 0.00 +0.440 A ATOM 14 O LIG 1 3.424 -3.176 7.100 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.617 -2.186 5.392 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.210 -1.649 4.127 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 -3.298 -1.391 0.468 0.00 0.00 +0.154 C ATOM 18 O LIG 1 -3.912 -0.235 -0.191 0.00 0.00 -0.361 OA ATOM 19 C LIG 1 -5.051 -0.299 0.695 0.00 0.00 +0.165 C ATOM 20 C LIG 1 -4.346 -1.287 1.610 0.00 0.00 +0.076 C BRANCH 17 21 ATOM 21 C LIG 1 -3.333 -2.730 -0.422 0.00 0.00 -0.008 A ATOM 22 C LIG 1 -3.002 -3.991 0.122 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -3.026 -5.161 -0.641 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.389 -5.109 -1.982 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.726 -3.888 -2.556 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.697 -2.722 -1.786 0.00 0.00 +0.007 A ENDBRANCH 17 21 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 N LIG 1 2.330 0.046 -0.252 0.00 0.00 -0.324 N ATOM 28 H LIG 1 1.743 0.645 -0.806 0.00 0.00 +0.148 HD BRANCH 27 30 ATOM 29 C LIG 1 3.838 1.838 0.479 0.00 0.00 +0.028 C ATOM 30 C LIG 1 3.732 0.469 -0.196 0.00 0.00 +0.072 C BRANCH 30 31 ATOM 31 C LIG 1 4.269 0.574 -1.628 0.00 0.00 +0.009 C ATOM 32 C LIG 1 5.806 0.730 -1.799 0.00 0.00 +0.005 C ATOM 33 C LIG 1 5.686 -0.166 -3.048 0.00 0.00 +0.001 C ATOM 34 C LIG 1 4.417 -0.764 -2.408 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 C LIG 1 -0.924 0.151 -0.959 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 -1.418 1.609 -0.837 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -1.756 2.177 -2.219 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -2.441 3.544 -2.119 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.886 4.452 -1.007 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -2.858 4.563 0.172 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -0.498 3.997 -0.549 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.444 2.537 -0.089 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 8