REMARK VINA RESULT: -4.6 1.908 3.363 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 0.661 -7.196 6.300 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -0.942 -5.453 6.408 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 0.896 -5.209 5.127 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -0.253 -3.266 5.597 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -0.319 -6.563 7.105 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -0.149 -4.551 5.731 0.00 0.00 0.725 C ATOM 7 C UNL d 1 1.593 -6.228 5.862 0.00 0.00 0.313 C ATOM 8 C UNL d 1 1.323 -4.940 3.769 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -2.349 -5.640 6.023 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -3.297 -6.062 7.112 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.822 -4.933 8.307 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -4.771 -6.151 9.013 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -5.744 -5.799 10.381 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -4.723 -7.341 8.471 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -3.873 -7.291 7.380 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -1.136 -2.604 6.360 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -0.773 -1.988 7.377 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -2.315 -2.575 5.967 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3