REMARK Name = BDB061258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.245 -1.391 -1.093 0.00 0.00 +0.051 A ATOM 2 C LIG 1 2.617 -1.207 -1.389 0.00 0.00 +0.151 A ATOM 3 C LIG 1 3.210 -1.796 -2.514 0.00 0.00 +0.106 A ATOM 4 C LIG 1 4.651 -1.546 -2.754 0.00 0.00 +0.197 A ATOM 5 C LIG 1 5.329 -0.633 -1.818 0.00 0.00 +0.098 A ATOM 6 C LIG 1 4.653 -0.137 -0.776 0.00 0.00 +0.139 A ATOM 7 O LIG 1 5.304 -2.042 -3.663 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 2.424 -2.579 -3.366 0.00 0.00 +0.135 A ATOM 9 C LIG 1 1.072 -2.777 -3.088 0.00 0.00 +0.092 A ATOM 10 O LIG 1 3.329 -0.421 -0.512 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 0.497 -2.199 -1.958 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 5.269 0.793 0.191 0.00 0.00 +0.018 A ATOM 13 C LIG 1 4.526 1.879 0.682 0.00 0.00 +0.015 A ATOM 14 C LIG 1 5.081 2.764 1.608 0.00 0.00 +0.046 A ATOM 15 C LIG 1 6.381 2.567 2.054 0.00 0.00 +0.117 A ATOM 16 C LIG 1 7.136 1.495 1.592 0.00 0.00 +0.046 A ATOM 17 C LIG 1 6.579 0.609 0.664 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 6.884 3.454 2.959 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 7.798 3.201 3.167 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 2.956 -3.161 -4.481 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 2.272 -3.647 -4.969 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 -0.832 -2.463 -1.779 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -1.025 -2.532 -0.831 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 0.633 -0.670 0.094 0.00 0.00 +0.127 C BRANCH 24 30 ATOM 25 O LIG 1 -3.882 1.730 2.285 0.00 0.00 -0.226 OA ATOM 26 C LIG 1 -3.582 1.552 1.110 0.00 0.00 +0.403 C ATOM 27 N LIG 1 -2.274 1.413 0.665 0.00 0.00 -0.265 N ATOM 28 C LIG 1 -1.987 0.884 -0.670 0.00 0.00 +0.126 C ATOM 29 C LIG 1 -0.535 1.133 -1.117 0.00 0.00 +0.104 C ATOM 30 N LIG 1 0.496 0.781 -0.118 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 0.182 1.484 1.145 0.00 0.00 +0.104 C ATOM 32 C LIG 1 -1.239 1.237 1.681 0.00 0.00 +0.126 C BRANCH 26 33 ATOM 33 O LIG 1 -4.482 1.455 0.098 0.00 0.00 -0.445 OA BRANCH 33 34 ATOM 34 C LIG 1 -5.861 1.508 0.479 0.00 0.00 +0.269 C BRANCH 34 35 ATOM 35 C LIG 1 -6.395 0.105 0.608 0.00 0.00 -0.010 A ATOM 36 C LIG 1 -6.480 -0.511 1.864 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -6.954 -1.818 1.981 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.340 -2.525 0.843 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.248 -1.927 -0.413 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.774 -0.620 -0.531 0.00 0.00 +0.007 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 9