REMARK VINA RESULT: -4.2 2.928 4.299 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 32.856 9.793 29.181 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 33.028 8.421 31.106 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 31.062 8.584 30.017 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 30.948 7.714 32.149 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 33.515 9.604 30.421 0.00 0.00 0.314 C ATOM 6 C UNL d 1 31.670 8.200 31.189 0.00 0.00 0.725 C ATOM 7 C UNL d 1 31.459 9.819 29.400 0.00 0.00 0.313 C ATOM 8 C UNL d 1 30.046 7.791 29.356 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 33.970 7.296 31.201 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 35.091 7.435 32.194 0.00 0.00 0.021 A ATOM 11 S UNL d 1 34.892 6.900 33.823 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 36.487 7.379 34.154 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 37.154 7.129 35.715 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 37.164 7.932 33.180 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 36.360 7.968 32.054 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 31.505 7.548 33.359 0.00 0.00 0.001 N ATOM 17 O UNL d 1 31.879 6.429 33.747 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 31.692 8.571 34.041 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3