REMARK VINA RESULT: -5.7 3.638 4.899 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 -1.194 -1.765 0.108 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -3.520 -1.744 -0.346 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -2.125 -2.897 -1.689 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -4.222 -2.482 -2.554 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.395 -1.021 0.215 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.384 -2.356 -1.574 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -0.996 -2.129 -1.244 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -1.877 -4.220 -2.225 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -4.524 -2.225 0.616 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -4.033 -2.546 2.001 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.103 -3.970 2.295 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -2.993 -3.536 3.933 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -2.102 -4.515 5.025 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -3.607 -2.442 4.308 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -4.208 -1.875 3.199 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -5.360 -1.772 -2.530 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -5.382 -0.579 -2.877 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -6.399 -2.379 -2.216 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3