REMARK Name = BDB029510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 6.773 -0.373 1.057 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 5.634 -0.141 0.663 0.00 0.00 +0.219 C ATOM 3 N LIG 1 5.175 -0.670 -0.515 0.00 0.00 -0.256 N ATOM 4 H LIG 1 5.820 -1.339 -0.920 0.00 0.00 +0.157 HD ATOM 5 C LIG 1 3.856 -0.956 -0.762 0.00 0.00 +0.227 C ATOM 6 O LIG 1 3.541 -1.944 -1.418 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 2.855 0.019 -0.168 0.00 0.00 +0.065 C ATOM 8 C LIG 1 1.415 -0.502 -0.286 0.00 0.00 +0.124 C ATOM 9 N LIG 1 0.595 0.700 -0.389 0.00 0.00 -0.300 N ATOM 10 C LIG 1 -0.782 0.799 -0.307 0.00 0.00 +0.223 C ATOM 11 O LIG 1 -1.339 1.891 -0.438 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 1.399 1.864 -0.709 0.00 0.00 +0.109 C ATOM 13 C LIG 1 2.785 1.308 -1.008 0.00 0.00 +0.036 C ATOM 14 C LIG 1 3.241 0.265 1.299 0.00 0.00 +0.027 C ATOM 15 C LIG 1 4.681 0.747 1.427 0.00 0.00 +0.097 C ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.564 -0.490 0.002 0.00 0.00 +0.105 C ATOM 17 C LIG 1 -2.927 -0.522 -0.672 0.00 0.00 -0.032 A ATOM 18 C LIG 1 -4.121 -0.408 0.065 0.00 0.00 -0.043 A ATOM 19 C LIG 1 -5.353 -0.456 -0.607 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -5.404 -0.597 -1.993 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.226 -0.698 -2.724 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.118 -0.291 1.568 0.00 0.00 +0.035 C ATOM 23 C LIG 1 -2.770 0.139 2.137 0.00 0.00 +0.006 C ATOM 24 C LIG 1 -2.995 -0.662 -2.069 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -1.642 -0.686 1.526 0.00 0.00 +0.018 C ENDBRANCH 10 16 TORSDOF 1