REMARK VINA RESULT: -7.2 1.879 6.141 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 5.044 3.071 3.898 0.00 0.00 0.055 C ATOM 2 C UNL d 1 3.784 3.464 3.427 0.00 0.00 0.055 C ATOM 3 C UNL d 1 5.256 1.731 4.270 0.00 0.00 0.018 C ATOM 4 C UNL d 1 2.710 2.566 3.514 0.00 0.00 0.018 C ATOM 5 C UNL d 1 4.195 0.826 4.294 0.00 0.00 0.001 C ATOM 6 C UNL d 1 2.913 1.257 3.964 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 6.142 4.014 4.230 0.00 0.00 0.294 C ATOM 8 O UNL d 1 6.098 4.757 5.196 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 7.001 4.095 3.185 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 8.391 3.780 3.413 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 8.727 2.298 3.271 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 9.106 1.612 4.581 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 8.720 2.394 5.835 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 3.523 4.789 2.835 0.00 0.00 0.294 C ATOM 15 O UNL d 1 4.401 5.565 2.499 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 2.186 5.033 2.837 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 1.742 6.201 3.551 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 2.075 6.134 5.042 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 0.914 6.564 5.938 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -0.424 6.459 5.217 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10