REMARK Name = BDB060920 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.970 0.892 0.876 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -0.388 0.667 1.047 0.00 0.00 +0.127 A ATOM 3 N LIG 1 -0.986 1.889 0.778 0.00 0.00 -0.288 N ATOM 4 C LIG 1 0.023 2.743 0.349 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -0.349 4.062 -0.037 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -1.635 4.478 0.055 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -2.656 3.549 0.561 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -2.312 2.297 0.906 0.00 0.00 +0.095 A ATOM 9 N LIG 1 1.204 2.167 0.406 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.018 5.802 -0.329 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -2.629 6.743 0.469 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -3.079 6.785 1.873 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -2.832 7.876 -0.258 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -2.350 7.699 -1.541 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -1.862 6.452 -1.581 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -1.269 5.931 -2.835 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -1.092 -0.418 1.502 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -0.575 -0.939 2.215 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -1.621 -1.416 0.536 0.00 0.00 +0.034 C ATOM 20 C LIG 1 -0.477 -2.264 -0.068 0.00 0.00 +0.029 C ATOM 21 C LIG 1 -1.040 -3.362 -0.986 0.00 0.00 -0.008 C ATOM 22 C LIG 1 -1.844 -2.706 -2.121 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -3.006 -1.885 -1.538 0.00 0.00 -0.008 C ATOM 24 C LIG 1 -3.922 -2.812 -0.723 0.00 0.00 +0.007 C ATOM 25 C LIG 1 -3.127 -3.464 0.419 0.00 0.00 -0.008 C ATOM 26 C LIG 1 -1.966 -4.280 -0.171 0.00 0.00 +0.007 C ATOM 27 C LIG 1 -2.444 -0.788 -0.614 0.00 0.00 +0.029 C ATOM 28 C LIG 1 -2.559 -2.365 1.331 0.00 0.00 +0.029 C ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 29 ATOM 29 C LIG 1 2.120 -0.024 1.119 0.00 0.00 +0.063 C BRANCH 29 30 ATOM 30 C LIG 1 2.953 -0.260 -0.143 0.00 0.00 +0.041 C BRANCH 30 34 ATOM 31 C LIG 1 5.946 -3.308 0.525 0.00 0.00 +0.120 A ATOM 32 C LIG 1 4.719 -3.642 -0.049 0.00 0.00 +0.046 A ATOM 33 C LIG 1 3.754 -2.653 -0.270 0.00 0.00 +0.007 A ATOM 34 C LIG 1 4.005 -1.320 0.075 0.00 0.00 -0.047 A ATOM 35 C LIG 1 5.234 -0.991 0.655 0.00 0.00 +0.007 A ATOM 36 C LIG 1 6.195 -1.980 0.875 0.00 0.00 +0.046 A BRANCH 31 38 ATOM 37 C LIG 1 6.776 -5.534 0.431 0.00 0.00 +0.277 C ATOM 38 O LIG 1 6.971 -4.173 0.795 0.00 0.00 -0.495 OA ENDBRANCH 31 38 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 7