REMARK VINA RESULT: -3.3 3.206 4.687 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 36.247 8.586 31.968 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 34.927 6.636 31.710 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 34.313 8.218 33.193 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 33.300 6.163 33.456 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 36.257 7.209 31.637 0.00 0.00 0.314 C ATOM 6 C UNL d 1 34.132 6.912 32.803 0.00 0.00 0.725 C ATOM 7 C UNL d 1 35.646 8.752 33.237 0.00 0.00 0.313 C ATOM 8 C UNL d 1 33.218 9.097 33.548 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 34.318 6.249 30.428 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 33.125 7.047 29.978 0.00 0.00 0.021 A ATOM 11 S UNL d 1 31.546 6.353 29.998 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 30.916 7.819 29.417 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 29.226 7.993 29.172 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 31.764 8.785 29.174 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 33.035 8.340 29.493 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 33.289 4.843 33.216 0.00 0.00 0.001 N ATOM 17 O UNL d 1 34.181 4.100 33.661 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 32.315 4.390 32.592 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3