REMARK Name = BDB061809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.003 -0.456 2.701 0.00 0.00 +0.142 A ATOM 2 C LIG 1 0.730 -0.318 2.101 0.00 0.00 +0.076 A ATOM 3 C LIG 1 0.669 0.118 0.776 0.00 0.00 +0.028 A ATOM 4 C LIG 1 1.834 0.399 0.056 0.00 0.00 +0.013 A ATOM 5 C LIG 1 3.095 0.242 0.638 0.00 0.00 +0.021 A ATOM 6 C LIG 1 3.170 -0.180 1.974 0.00 0.00 +0.059 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.290 0.535 -0.158 0.00 0.00 +0.139 A ATOM 8 N LIG 1 5.529 -0.020 0.072 0.00 0.00 -0.338 N ATOM 9 H LIG 1 5.745 -0.692 0.792 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 6.413 0.456 -0.862 0.00 0.00 +0.067 A ATOM 11 C LIG 1 5.653 1.305 -1.660 0.00 0.00 +0.102 A ATOM 12 C LIG 1 6.273 1.969 -2.736 0.00 0.00 +0.064 A ATOM 13 C LIG 1 7.644 1.741 -2.962 0.00 0.00 +0.015 A ATOM 14 C LIG 1 8.376 0.878 -2.142 0.00 0.00 +0.003 A ATOM 15 C LIG 1 7.773 0.214 -1.070 0.00 0.00 +0.028 A ATOM 16 N LIG 1 4.344 1.331 -1.212 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 5.533 2.892 -3.628 0.00 0.00 +0.244 C ATOM 18 O LIG 1 6.084 3.458 -4.564 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 4.209 3.092 -3.366 0.00 0.00 -0.325 N ATOM 20 H LIG 1 3.683 3.727 -3.948 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 3.753 2.633 -2.579 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 5 7 BRANCH 1 23 ATOM 22 C LIG 1 3.219 -0.942 4.706 0.00 0.00 +0.277 C ATOM 23 O LIG 1 1.979 -0.875 4.014 0.00 0.00 -0.493 OA ENDBRANCH 1 23 BRANCH 2 24 ATOM 24 N LIG 1 -0.406 -0.632 2.863 0.00 0.00 -0.281 N ATOM 25 H LIG 1 -0.209 -0.858 3.830 0.00 0.00 +0.155 HD BRANCH 24 26 ATOM 26 C LIG 1 -1.764 -0.739 2.600 0.00 0.00 +0.221 A ATOM 27 N LIG 1 -2.259 -0.590 1.363 0.00 0.00 -0.197 NA ATOM 28 C LIG 1 -3.588 -0.708 1.163 0.00 0.00 +0.149 A ATOM 29 N LIG 1 -4.099 -0.626 -0.152 0.00 0.00 -0.299 N ATOM 30 C LIG 1 -5.446 -0.022 -0.209 0.00 0.00 +0.158 C ATOM 31 C LIG 1 -6.417 -0.664 0.800 0.00 0.00 +0.240 C ATOM 32 N LIG 1 -5.867 -1.034 2.025 0.00 0.00 -0.269 N ATOM 33 C LIG 1 -6.736 -1.501 3.089 0.00 0.00 +0.138 C ATOM 34 O LIG 1 -7.622 -0.744 0.553 0.00 0.00 -0.273 OA ATOM 35 C LIG 1 -5.404 1.491 0.019 0.00 0.00 +0.038 C ATOM 36 C LIG 1 -4.459 -0.954 2.225 0.00 0.00 +0.095 A ATOM 37 C LIG 1 -3.854 -1.116 3.454 0.00 0.00 +0.141 A ATOM 38 N LIG 1 -2.527 -1.016 3.664 0.00 0.00 -0.221 NA BRANCH 29 39 ATOM 39 C LIG 1 -3.122 -0.376 -1.221 0.00 0.00 +0.076 C ATOM 40 C LIG 1 -2.237 -1.605 -1.486 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -1.665 -1.397 -2.886 0.00 0.00 +0.002 C ATOM 42 C LIG 1 -2.578 -0.384 -3.567 0.00 0.00 +0.002 C ATOM 43 C LIG 1 -3.745 -0.188 -2.610 0.00 0.00 +0.022 C ENDBRANCH 29 39 ENDBRANCH 24 26 ENDBRANCH 2 24 TORSDOF 6