REMARK Name = BDB060560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.900 0.422 -0.007 0.00 0.00 +0.079 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.052 0.909 -1.165 0.00 0.00 +0.156 C ATOM 3 O LIG 1 0.555 1.506 -2.118 0.00 0.00 -0.293 OA BRANCH 2 5 ATOM 4 C LIG 1 -2.122 0.002 -0.260 0.00 0.00 -0.023 C ATOM 5 C LIG 1 -1.418 0.666 -1.189 0.00 0.00 +0.042 C BRANCH 4 6 ATOM 6 C LIG 1 -3.608 -0.214 -0.350 0.00 0.00 +0.027 C BRANCH 6 7 ATOM 7 C LIG 1 -4.336 0.464 0.813 0.00 0.00 +0.004 C BRANCH 7 8 ATOM 8 C LIG 1 -5.839 0.172 0.843 0.00 0.00 +0.000 C BRANCH 8 10 ATOM 9 C LIG 1 -8.098 0.553 -0.207 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -6.598 0.770 -0.343 0.00 0.00 -0.003 C ENDBRANCH 8 10 ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 1.318 -1.039 -0.161 0.00 0.00 +0.008 C BRANCH 11 12 ATOM 12 C LIG 1 2.222 -1.332 -1.365 0.00 0.00 +0.000 C BRANCH 12 13 ATOM 13 C LIG 1 3.532 -0.541 -1.427 0.00 0.00 +0.000 C BRANCH 13 14 ATOM 14 C LIG 1 4.446 -0.782 -0.223 0.00 0.00 +0.001 C BRANCH 14 15 ATOM 15 C LIG 1 5.765 -0.016 -0.369 0.00 0.00 +0.011 C BRANCH 15 16 ATOM 16 C LIG 1 6.721 -0.267 0.796 0.00 0.00 +0.120 C BRANCH 16 17 ATOM 17 C LIG 1 6.293 0.411 2.071 0.00 0.00 +0.305 C ATOM 18 O LIG 1 5.373 1.194 2.229 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 7.084 0.069 3.108 0.00 0.00 -0.481 OA ATOM 20 H LIG 1 6.718 0.578 3.862 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 1 11 TORSDOF 14