REMARK VINA RESULT: 5.7 4.229 8.096 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 4.757 -3.194 13.599 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 3.736 -5.286 14.021 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 7.260 -4.843 10.650 0.00 0.00 0.103 C ATOM 4 C UNL d 1 5.432 -5.101 12.305 0.00 0.00 0.042 C ATOM 5 C UNL d 1 6.239 -5.605 11.236 0.00 0.00 0.057 C ATOM 6 C UNL d 1 7.511 -3.590 11.225 0.00 0.00 0.103 C ATOM 7 C UNL d 1 5.557 -3.769 12.693 0.00 0.00 0.075 C ATOM 8 C UNL d 1 6.614 -3.054 12.172 0.00 0.00 0.072 C ATOM 9 C UNL d 1 4.549 -5.848 13.106 0.00 0.00 0.142 C ATOM 10 C UNL d 1 3.847 -3.974 14.195 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 8.033 -5.324 9.605 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 7.306 -5.662 8.409 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 6.571 -4.490 7.727 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 5.233 -4.662 6.977 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 4.223 -3.580 7.001 0.00 0.00 0.092 N ATOM 16 C UNL d 1 4.718 -2.334 7.625 0.00 0.00 0.298 C ATOM 17 C UNL d 1 5.062 -2.494 9.114 0.00 0.00 0.198 C ATOM 18 O UNL d 1 3.930 -2.938 9.872 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 3.362 -4.138 9.331 0.00 0.00 0.198 C ATOM 20 C UNL d 1 3.041 -3.988 7.829 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 8.567 -2.748 10.999 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 9.828 -3.130 11.523 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 4.639 -7.253 13.080 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 4.378 -7.650 12.193 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 4.648 -8.121 14.182 0.00 0.00 0.035 A ATOM 26 C UNL d 1 5.571 -7.979 15.231 0.00 0.00 0.056 A ATOM 27 C UNL d 1 5.576 -8.869 16.307 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 6.713 -8.649 17.582 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 4.674 -9.922 16.331 0.00 0.00 0.138 A ATOM 30 F UNL d 1 4.651 -10.783 17.359 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 3.778 -10.106 15.283 0.00 0.00 0.046 A ATOM 32 C UNL d 1 3.771 -9.215 14.208 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8