REMARK Name = BDB050666 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.092 -0.023 0.472 0.00 0.00 +0.197 C ATOM 2 O LIG 1 2.035 -0.174 1.690 0.00 0.00 -0.287 OA ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 4.412 0.926 0.321 0.00 0.00 +0.117 A ATOM 4 C LIG 1 3.338 0.241 -0.230 0.00 0.00 +0.071 A ATOM 5 C LIG 1 3.759 -0.140 -1.548 0.00 0.00 +0.031 A ATOM 6 C LIG 1 5.033 0.392 -1.709 0.00 0.00 +0.136 A ATOM 7 C LIG 1 5.804 0.262 -2.863 0.00 0.00 +0.047 A ATOM 8 C LIG 1 5.241 -0.467 -3.913 0.00 0.00 +0.004 A ATOM 9 C LIG 1 3.972 -1.036 -3.794 0.00 0.00 +0.001 A ATOM 10 C LIG 1 3.221 -0.886 -2.619 0.00 0.00 +0.012 A ATOM 11 O LIG 1 5.421 1.043 -0.584 0.00 0.00 -0.459 OA BRANCH 3 12 ATOM 12 C LIG 1 4.662 1.558 1.646 0.00 0.00 +0.075 C BRANCH 12 13 ATOM 13 C LIG 1 5.230 0.577 2.675 0.00 0.00 +0.007 C BRANCH 13 15 ATOM 14 C LIG 1 7.217 -0.765 3.454 0.00 0.00 +0.004 C ATOM 15 C LIG 1 6.662 0.136 2.360 0.00 0.00 -0.003 C ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 3 12 ENDBRANCH 1 4 BRANCH 1 16 ATOM 16 C LIG 1 0.818 -0.094 -0.286 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -0.141 -1.034 0.110 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -1.376 -1.105 -0.545 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -1.667 -0.224 -1.586 0.00 0.00 +0.121 A ATOM 20 C LIG 1 -0.705 0.712 -1.980 0.00 0.00 +0.046 A ATOM 21 C LIG 1 0.529 0.790 -1.329 0.00 0.00 +0.015 A BRANCH 19 22 ATOM 22 O LIG 1 -2.833 -0.170 -2.296 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 -3.986 -0.832 -1.783 0.00 0.00 +0.227 C BRANCH 23 24 ATOM 24 C LIG 1 -4.639 0.011 -0.684 0.00 0.00 +0.023 C BRANCH 24 25 ATOM 25 C LIG 1 -5.933 -0.634 -0.203 0.00 0.00 -0.073 C BRANCH 25 26 ATOM 26 N LIG 1 -6.648 0.163 0.907 0.00 0.00 +0.374 N ATOM 27 C LIG 1 -5.783 0.292 2.157 0.00 0.00 -0.093 C ATOM 28 C LIG 1 -7.057 1.552 0.426 0.00 0.00 -0.093 C ATOM 29 C LIG 1 -7.922 -0.603 1.286 0.00 0.00 -0.093 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 16 TORSDOF 10