REMARK Name = BDB000457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.069 0.735 0.782 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.407 0.470 0.675 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -2.200 1.126 1.621 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -3.572 0.929 1.604 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -4.588 1.511 2.538 0.00 0.00 +0.036 C ATOM 6 C LIG 1 -5.891 1.263 1.764 0.00 0.00 +0.013 C ATOM 7 C LIG 1 -5.650 0.001 0.909 0.00 0.00 +0.030 C ATOM 8 C LIG 1 -4.168 0.075 0.671 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -3.393 -0.600 -0.257 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -2.006 -0.394 -0.256 0.00 0.00 +0.046 A BRANCH 7 11 ATOM 11 C LIG 1 -6.558 -0.140 -0.312 0.00 0.00 +0.128 C BRANCH 11 12 ATOM 12 C LIG 1 -6.418 0.919 -1.387 0.00 0.00 +0.305 C ATOM 13 O LIG 1 -5.795 1.963 -1.303 0.00 0.00 -0.251 OA BRANCH 12 14 ATOM 14 O LIG 1 -7.117 0.597 -2.504 0.00 0.00 -0.481 OA ATOM 15 H LIG 1 -7.592 -0.253 -2.446 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 0.804 0.299 -0.263 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 1.372 -1.079 0.072 0.00 0.00 +0.082 C BRANCH 17 18 ATOM 18 C LIG 1 2.259 -1.622 -1.043 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 O LIG 1 3.298 -0.714 -1.393 0.00 0.00 -0.488 OA BRANCH 19 21 ATOM 20 C LIG 1 5.412 0.274 -1.076 0.00 0.00 +0.163 A ATOM 21 C LIG 1 4.461 -0.686 -0.668 0.00 0.00 +0.162 A ATOM 22 C LIG 1 4.747 -1.522 0.415 0.00 0.00 +0.050 A ATOM 23 C LIG 1 5.967 -1.412 1.089 0.00 0.00 +0.022 A ATOM 24 C LIG 1 6.910 -0.465 0.685 0.00 0.00 +0.055 A ATOM 25 C LIG 1 6.632 0.377 -0.397 0.00 0.00 +0.068 A BRANCH 20 27 ATOM 26 C LIG 1 5.954 2.074 -2.558 0.00 0.00 +0.277 C ATOM 27 O LIG 1 5.053 1.056 -2.146 0.00 0.00 -0.491 OA ENDBRANCH 20 27 BRANCH 24 28 ATOM 28 C LIG 1 8.161 -0.356 1.377 0.00 0.00 +0.099 C ATOM 29 N LIG 1 9.174 -0.267 1.935 0.00 0.00 -0.191 NA ENDBRANCH 24 28 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 11