REMARK VINA RESULT: -4.8 2.245 2.607 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 -1.145 -0.041 4.076 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.955 -1.443 4.684 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -0.863 -1.969 5.333 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -2.406 -3.675 5.479 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.427 -0.514 3.704 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -2.143 -2.444 5.172 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -0.293 -1.146 4.303 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -0.057 -2.242 6.506 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -4.102 -0.968 5.473 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -5.158 -0.195 4.732 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -4.726 0.871 3.445 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -6.369 1.236 3.221 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -6.850 2.310 1.972 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -7.227 0.668 4.030 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -6.531 -0.152 4.901 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -3.590 -4.195 5.118 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -3.815 -4.527 3.942 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -4.420 -4.394 6.021 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3