REMARK VINA RESULT: -7.9 2.020 2.800 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 -14.669 19.976 -25.415 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -16.507 19.089 -24.217 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -17.175 21.481 -28.437 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -16.889 20.315 -26.268 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -17.713 20.916 -27.272 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -15.792 21.346 -28.615 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -15.502 20.407 -26.370 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -14.984 20.887 -27.554 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -17.331 19.529 -25.188 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -15.216 19.371 -24.353 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -17.970 22.077 -29.404 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -18.811 21.175 -30.148 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -18.967 21.498 -31.647 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -19.814 20.636 -32.608 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -21.120 21.133 -33.097 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -22.010 21.601 -32.012 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -22.427 20.484 -31.042 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -23.099 19.417 -31.724 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -22.320 18.905 -32.814 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -21.877 20.030 -33.774 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 -15.050 21.604 -29.737 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -15.245 20.755 -30.855 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -18.649 19.034 -25.209 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -18.784 18.297 -25.879 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -19.802 19.677 -24.736 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -21.084 19.130 -24.915 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -22.220 19.799 -24.457 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -23.771 19.086 -24.681 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -22.086 21.032 -23.835 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -23.161 21.689 -23.375 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -20.831 21.612 -23.683 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -19.694 20.942 -24.141 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8