REMARK VINA RESULT: -6.9 3.093 6.548 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 33.079 80.700 100.269 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 34.490 79.455 101.703 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 29.964 77.904 100.664 0.00 0.00 0.103 C ATOM 4 C UNL d 1 32.240 78.682 101.264 0.00 0.00 0.042 C ATOM 5 C UNL d 1 31.126 77.800 101.441 0.00 0.00 0.057 C ATOM 6 C UNL d 1 29.981 78.861 99.641 0.00 0.00 0.103 C ATOM 7 C UNL d 1 32.129 79.767 100.397 0.00 0.00 0.075 C ATOM 8 C UNL d 1 31.019 79.813 99.580 0.00 0.00 0.072 C ATOM 9 C UNL d 1 33.522 78.525 101.821 0.00 0.00 0.142 C ATOM 10 C UNL d 1 34.208 80.523 100.967 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 28.878 77.061 100.843 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 27.721 77.670 101.447 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 27.999 78.516 102.706 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 27.318 78.247 104.064 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 28.138 77.982 105.268 0.00 0.00 0.092 N ATOM 16 C UNL d 1 29.282 77.082 105.007 0.00 0.00 0.298 C ATOM 17 C UNL d 1 28.860 75.668 104.580 0.00 0.00 0.198 C ATOM 18 O UNL d 1 28.033 75.042 105.570 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 26.899 75.852 105.909 0.00 0.00 0.198 C ATOM 20 C UNL d 1 27.320 77.281 106.311 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 29.087 79.026 98.617 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 28.118 80.051 98.757 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 33.872 77.277 102.372 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 33.529 76.499 101.837 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 34.254 77.014 103.696 0.00 0.00 0.035 A ATOM 26 C UNL d 1 33.336 76.563 104.659 0.00 0.00 0.056 A ATOM 27 C UNL d 1 33.734 76.330 105.977 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 32.581 75.760 107.121 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 35.049 76.567 106.347 0.00 0.00 0.138 A ATOM 30 F UNL d 1 35.460 76.340 107.604 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 35.967 77.053 105.421 0.00 0.00 0.046 A ATOM 32 C UNL d 1 35.568 77.285 104.103 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8