REMARK VINA RESULT: -4.7 1.532 1.754 REMARK 3 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_6 and C_13 REMARK 2 A between atoms: N_8 and N_10 REMARK 3 A between atoms: C_13 and C_15 ROOT ATOM 1 O UNL d 1 8.321 -9.570 -4.171 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 9.068 -7.413 -3.536 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 8.614 -7.850 -5.699 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 9.861 -5.951 -5.311 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 9.103 -8.834 -3.247 0.00 0.00 0.314 C ATOM 6 C UNL d 1 9.240 -6.984 -4.835 0.00 0.00 0.725 C ATOM 7 C UNL d 1 8.748 -9.265 -5.484 0.00 0.00 0.313 C ATOM 8 C UNL d 1 7.803 -7.409 -6.816 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 8.349 -6.573 -2.566 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 6.854 -6.730 -2.515 0.00 0.00 0.021 A ATOM 11 S UNL d 1 5.938 -6.006 -1.243 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 4.519 -6.623 -1.942 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 2.993 -6.285 -1.231 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 4.645 -7.348 -3.023 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 5.988 -7.413 -3.351 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 10.650 -5.235 -4.495 0.00 0.00 0.001 N ATOM 17 O UNL d 1 11.742 -5.680 -4.102 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 10.273 -4.086 -4.209 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3