REMARK Name = BDB064201 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.040 0.813 -0.060 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.558 -0.434 -0.170 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 -0.750 -0.578 -0.395 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.616 0.507 -0.526 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.993 0.261 -0.735 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -3.485 -1.044 -0.830 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -2.634 -2.144 -0.715 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -1.016 1.777 -0.425 0.00 0.00 +0.136 A ATOM 9 C LIG 1 -1.271 -1.866 -0.500 0.00 0.00 +0.051 A ATOM 10 N LIG 1 0.299 1.921 -0.193 0.00 0.00 -0.212 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.730 0.033 0.514 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.364 -0.122 0.250 0.00 0.00 +0.035 A ATOM 13 C LIG 1 2.482 0.981 0.217 0.00 0.00 +0.021 A ATOM 14 C LIG 1 3.029 2.255 0.465 0.00 0.00 +0.012 A ATOM 15 C LIG 1 4.387 2.423 0.732 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.232 1.316 0.757 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 5.417 -2.364 0.308 0.00 0.00 +0.241 C ATOM 18 N LIG 1 5.653 -1.033 0.565 0.00 0.00 -0.282 N ATOM 19 H LIG 1 6.608 -0.775 0.771 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 4.380 -2.883 -0.084 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 7.568 -3.063 1.405 0.00 0.00 +0.013 C ATOM 22 C LIG 1 6.615 -3.234 0.478 0.00 0.00 +0.060 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 7 23 ATOM 23 N LIG 1 -3.066 -3.471 -0.806 0.00 0.00 -0.325 N ATOM 24 C LIG 1 -4.387 -3.812 -1.372 0.00 0.00 +0.133 C ATOM 25 C LIG 1 -5.348 -4.241 -0.254 0.00 0.00 +0.178 C ATOM 26 O LIG 1 -4.907 -5.403 0.469 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 -3.490 -5.622 0.382 0.00 0.00 +0.178 C ATOM 28 C LIG 1 -2.672 -4.320 0.350 0.00 0.00 +0.133 C ENDBRANCH 7 23 BRANCH 8 29 ATOM 29 N LIG 1 -1.820 2.934 -0.599 0.00 0.00 -0.282 N ATOM 30 H LIG 1 -2.346 2.846 -1.459 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -1.558 4.188 -0.163 0.00 0.00 +0.146 A ATOM 32 N LIG 1 -0.838 4.546 0.903 0.00 0.00 -0.158 NA ATOM 33 N LIG 1 -0.897 5.882 0.921 0.00 0.00 -0.280 N ATOM 34 H LIG 1 -0.394 6.370 1.655 0.00 0.00 +0.189 HD ATOM 35 C LIG 1 -1.662 6.413 -0.078 0.00 0.00 +0.035 A ATOM 36 C LIG 1 -1.873 7.867 -0.230 0.00 0.00 +0.065 C ATOM 37 C LIG 1 -2.114 5.328 -0.797 0.00 0.00 +0.068 A ENDBRANCH 29 31 ENDBRANCH 8 29 TORSDOF 6