REMARK Name = BDB010372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.561 -1.219 0.457 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.340 -1.088 -0.186 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.638 -1.572 0.661 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.062 -1.890 1.815 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.498 -2.393 2.926 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.810 -2.577 2.791 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.583 -2.308 1.711 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -2.015 -1.781 0.605 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.392 -1.642 1.687 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.538 -3.143 3.948 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.858 -3.370 3.836 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.432 -3.203 3.027 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.268 -3.878 5.004 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.410 -4.212 5.278 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.186 -3.961 5.845 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.062 -3.465 5.107 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 3.853 -0.421 0.735 0.00 0.00 +0.076 C ATOM 18 N LIG 1 2.744 -0.891 -0.145 0.00 0.00 -0.298 N ATOM 19 C LIG 1 3.198 -1.832 -1.198 0.00 0.00 +0.108 C ATOM 20 C LIG 1 4.494 -2.565 -0.837 0.00 0.00 +0.019 C ATOM 21 C LIG 1 4.563 -2.881 0.649 0.00 0.00 +0.003 C ATOM 22 C LIG 1 4.482 -1.607 1.496 0.00 0.00 +0.022 C BRANCH 17 23 ATOM 23 C LIG 1 3.418 0.736 1.667 0.00 0.00 +0.025 C BRANCH 23 25 ATOM 24 C LIG 1 4.645 2.703 0.608 0.00 0.00 +0.007 C ATOM 25 C LIG 1 4.439 1.875 1.878 0.00 0.00 -0.015 C ATOM 26 C LIG 1 5.779 1.397 2.430 0.00 0.00 +0.007 C ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 1 18 BRANCH 8 27 ATOM 27 N LIG 1 -2.801 -1.514 -0.505 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -2.425 -0.826 -1.138 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.257 -1.439 -0.349 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -4.877 -1.670 -1.728 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.669 -0.095 0.281 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -6.177 0.244 0.404 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -6.019 1.229 -0.767 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -4.502 1.224 -0.519 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 0.131 -0.521 -1.507 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.409 0.925 -1.493 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.904 1.336 -2.895 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.164 2.080 -3.690 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.602 3.382 -2.994 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -0.129 4.597 -3.567 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.416 3.325 -1.468 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.636 1.913 -0.938 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9