REMARK Name = BDB010697 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.515 -1.391 0.521 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.549 -0.727 -0.217 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.687 -1.130 0.249 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.375 -1.959 1.316 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.281 -2.582 2.086 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.533 -2.325 1.690 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.934 -1.555 0.662 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 2.022 -0.918 -0.097 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.968 -2.095 1.483 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.560 -0.446 2.505 0.00 0.00 +0.029 C ATOM 11 C LIG 1 -3.803 -1.439 1.370 0.00 0.00 +0.087 C ATOM 12 N LIG 1 -2.847 -1.287 0.233 0.00 0.00 -0.295 N ATOM 13 C LIG 1 -3.292 -2.131 -0.919 0.00 0.00 +0.126 C ATOM 14 C LIG 1 -3.854 -3.527 -0.490 0.00 0.00 +0.068 C ATOM 15 C LIG 1 -5.367 -3.627 -0.719 0.00 0.00 +0.025 C ATOM 16 N LIG 1 -3.509 -3.942 0.886 0.00 0.00 -0.310 NA ATOM 17 H LIG 1 -2.482 -3.966 0.925 0.00 0.00 +0.122 HD ATOM 18 C LIG 1 -3.880 -2.906 1.878 0.00 0.00 +0.103 C ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 3.594 -2.975 2.492 0.00 0.00 +0.220 A ATOM 20 N LIG 1 3.245 -3.769 3.518 0.00 0.00 -0.269 N ATOM 21 H LIG 1 2.313 -3.990 3.827 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 4.381 -4.219 4.066 0.00 0.00 +0.440 A ATOM 23 O LIG 1 4.469 -4.968 5.026 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 5.439 -3.694 3.365 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 4.874 -2.876 2.332 0.00 0.00 -0.051 NA ENDBRANCH 6 19 BRANCH 8 26 ATOM 26 N LIG 1 2.425 -0.140 -1.167 0.00 0.00 -0.324 N ATOM 27 H LIG 1 1.784 0.603 -1.400 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 3.829 0.239 -1.384 0.00 0.00 +0.072 C ATOM 29 C LIG 1 4.694 -0.967 -1.751 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 4.439 1.035 -0.220 0.00 0.00 +0.009 C ATOM 31 C LIG 1 5.703 1.880 -0.550 0.00 0.00 +0.005 C ATOM 32 C LIG 1 4.779 3.095 -0.749 0.00 0.00 +0.001 C ATOM 33 C LIG 1 3.748 2.381 0.144 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 -0.800 0.204 -1.304 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -0.586 1.687 -0.929 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -1.716 2.252 -0.046 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -2.805 2.938 -0.865 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -2.259 4.131 -1.670 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -2.498 5.455 -0.942 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.766 3.977 -2.010 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.396 2.514 -2.218 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 7