REMARK VINA RESULT: -7.2 2.563 3.589 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 0.765 -1.176 8.185 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -0.474 -3.107 7.604 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -0.641 0.918 4.820 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -0.632 -1.120 6.232 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -1.154 -0.345 5.147 0.00 0.00 0.057 C ATOM 6 C UNL d 1 0.474 1.347 5.553 0.00 0.00 0.103 C ATOM 7 C UNL d 1 0.319 -0.561 7.083 0.00 0.00 0.075 C ATOM 8 C UNL d 1 0.876 0.643 6.706 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -0.913 -2.472 6.500 0.00 0.00 0.142 C ATOM 10 C UNL d 1 0.312 -2.413 8.421 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -1.154 1.676 3.779 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -2.255 1.078 3.070 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -2.070 0.951 1.544 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -0.689 0.767 0.880 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -0.454 -0.365 -0.045 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -0.263 -1.656 0.650 0.00 0.00 0.298 C ATOM 17 C UNL d 1 0.991 -1.691 1.537 0.00 0.00 0.198 C ATOM 18 O UNL d 1 2.180 -1.427 0.780 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 2.085 -0.197 0.048 0.00 0.00 0.198 C ATOM 20 C UNL d 1 0.811 -0.150 -0.821 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 1.292 2.417 5.305 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 0.676 3.632 4.915 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -1.528 -3.246 5.497 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -0.869 -3.688 4.880 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -2.851 -3.146 5.042 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -3.374 -4.026 4.081 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.688 -3.893 3.625 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -5.296 -5.005 2.460 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -5.481 -2.865 4.111 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -6.749 -2.723 3.699 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -4.971 -1.956 5.033 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -3.658 -2.090 5.489 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8