REMARK VINA RESULT: -4.3 3.255 4.686 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 0.639 -8.091 6.458 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 0.991 -5.961 5.481 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 2.509 -7.599 5.177 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 3.236 -5.467 4.686 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 0.402 -6.700 6.581 0.00 0.00 0.314 C ATOM 6 C UNL d 1 2.284 -6.245 5.092 0.00 0.00 0.725 C ATOM 7 C UNL d 1 2.030 -8.312 6.329 0.00 0.00 0.313 C ATOM 8 C UNL d 1 3.196 -8.354 4.149 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 0.047 -5.354 4.530 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -1.037 -4.489 5.113 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -0.639 -3.112 6.074 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -2.295 -2.782 6.250 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -2.809 -1.403 7.134 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -3.138 -3.611 5.689 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -2.414 -4.595 5.038 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 3.088 -4.139 4.813 0.00 0.00 0.001 N ATOM 17 O UNL d 1 3.254 -3.574 5.907 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 2.848 -3.495 3.777 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3