REMARK VINA RESULT: -4.7 1.009 1.276 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 35.897 7.965 32.462 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 33.761 8.499 31.585 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 35.380 7.742 30.213 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 33.590 8.757 29.173 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 34.749 8.784 32.608 0.00 0.00 0.314 C ATOM 6 C UNL d 1 34.164 8.380 30.272 0.00 0.00 0.725 C ATOM 7 C UNL d 1 36.404 8.111 31.151 0.00 0.00 0.313 C ATOM 8 C UNL d 1 35.681 6.696 29.257 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 32.525 7.848 32.044 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 32.680 6.540 32.771 0.00 0.00 0.021 A ATOM 11 S UNL d 1 33.412 5.184 31.992 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 33.201 4.280 33.414 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 33.758 2.658 33.492 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 32.609 4.869 34.420 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 32.305 6.168 34.050 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 32.522 9.566 29.243 0.00 0.00 0.001 N ATOM 17 O UNL d 1 31.366 9.114 29.179 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 32.739 10.773 29.444 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3