REMARK VINA RESULT: -7.9 2.701 5.327 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 1 111.285 86.582 49.051 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 111.908 84.302 49.158 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 113.096 87.404 52.756 0.00 0.00 0.103 C ATOM 4 C UNL d 1 112.567 85.812 50.930 0.00 0.00 0.042 C ATOM 5 C UNL d 1 113.245 86.151 52.145 0.00 0.00 0.057 C ATOM 6 C UNL d 1 112.176 88.281 52.165 0.00 0.00 0.103 C ATOM 7 C UNL d 1 111.845 86.789 50.249 0.00 0.00 0.075 C ATOM 8 C UNL d 1 111.635 87.989 50.896 0.00 0.00 0.072 C ATOM 9 C UNL d 1 112.467 84.529 50.363 0.00 0.00 0.142 C ATOM 10 C UNL d 1 111.381 85.350 48.536 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 113.762 87.740 53.924 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 115.037 87.097 54.109 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 115.147 86.185 55.348 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 114.338 86.427 56.641 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 113.422 85.382 57.151 0.00 0.00 0.092 N ATOM 16 C UNL d 1 112.366 85.010 56.185 0.00 0.00 0.298 C ATOM 17 C UNL d 1 111.402 86.162 55.862 0.00 0.00 0.198 C ATOM 18 O UNL d 1 110.755 86.654 57.043 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 111.701 87.026 58.055 0.00 0.00 0.198 C ATOM 20 C UNL d 1 112.687 85.879 58.360 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 1 111.682 89.457 52.664 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 110.357 89.810 52.307 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 112.800 83.413 51.154 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 113.628 82.937 50.837 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 111.951 82.700 52.013 0.00 0.00 0.035 A ATOM 26 C UNL d 1 111.817 81.303 51.934 0.00 0.00 0.056 A ATOM 27 C UNL d 1 110.948 80.617 52.784 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 110.826 78.903 52.667 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 110.189 81.323 53.706 0.00 0.00 0.138 A ATOM 30 F UNL d 1 109.357 80.686 54.542 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 110.275 82.710 53.774 0.00 0.00 0.046 A ATOM 32 C UNL d 1 111.145 83.396 52.925 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8