REMARK VINA RESULT: -5.3 0.000 0.000 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 -0.618 -0.863 3.140 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -1.773 -2.512 4.390 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -0.914 -0.710 5.435 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -1.478 -2.478 6.803 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -0.955 -2.236 3.224 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -1.412 -1.980 5.609 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -0.005 -0.463 4.350 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -1.274 0.406 6.286 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -3.173 -2.877 4.125 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -4.215 -1.841 4.447 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -5.577 -2.240 5.429 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -6.123 -0.638 5.287 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -7.556 -0.143 6.092 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -5.412 0.178 4.552 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -4.317 -0.514 4.066 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -1.755 -3.783 6.948 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -2.922 -4.180 7.106 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -0.804 -4.577 6.845 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3