REMARK VINA RESULT: -6.1 4.368 7.978 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 6.535 -5.966 -9.554 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 6.923 -3.674 -9.113 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 8.987 -7.150 -6.351 0.00 0.00 0.103 C ATOM 4 C UNL d 1 7.916 -5.357 -7.686 0.00 0.00 0.042 C ATOM 5 C UNL d 1 8.672 -5.799 -6.554 0.00 0.00 0.057 C ATOM 6 C UNL d 1 8.601 -8.040 -7.362 0.00 0.00 0.103 C ATOM 7 C UNL d 1 7.351 -6.296 -8.546 0.00 0.00 0.075 C ATOM 8 C UNL d 1 7.734 -7.612 -8.387 0.00 0.00 0.072 C ATOM 9 C UNL d 1 7.742 -4.025 -8.102 0.00 0.00 0.142 C ATOM 10 C UNL d 1 6.321 -4.662 -9.767 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 9.707 -7.582 -5.247 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 9.146 -7.224 -3.970 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 7.999 -8.127 -3.473 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 6.570 -7.602 -3.215 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 6.048 -7.518 -1.833 0.00 0.00 0.092 N ATOM 16 C UNL d 1 4.870 -8.382 -1.600 0.00 0.00 0.298 C ATOM 17 C UNL d 1 3.646 -7.982 -2.438 0.00 0.00 0.198 C ATOM 18 O UNL d 1 3.249 -6.629 -2.179 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 4.335 -5.710 -2.358 0.00 0.00 0.198 C ATOM 20 C UNL d 1 5.574 -6.126 -1.539 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 8.963 -9.351 -7.524 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 8.870 -9.895 -8.829 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 8.584 -3.033 -7.563 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 8.080 -2.296 -7.099 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 9.910 -2.759 -7.927 0.00 0.00 0.035 A ATOM 26 C UNL d 1 10.991 -3.078 -7.088 0.00 0.00 0.056 A ATOM 27 C UNL d 1 12.302 -2.776 -7.461 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 13.600 -3.200 -6.412 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 12.541 -2.131 -8.666 0.00 0.00 0.138 A ATOM 30 F UNL d 1 13.792 -1.840 -9.052 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 11.483 -1.769 -9.493 0.00 0.00 0.046 A ATOM 32 C UNL d 1 10.172 -2.073 -9.121 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8