REMARK VINA RESULT: -3.0 1.956 2.864 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 -1.713 -14.625 6.048 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -3.745 -15.759 5.597 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -1.994 -15.994 4.197 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -4.037 -16.655 3.354 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -3.122 -14.592 6.193 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.351 -16.166 4.340 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -1.394 -14.782 4.679 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -1.129 -16.988 3.596 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -4.346 -16.720 6.534 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -3.709 -18.080 6.609 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -2.024 -18.244 6.947 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -2.192 -19.931 6.866 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -0.838 -20.945 7.155 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -3.378 -20.406 6.581 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -4.249 -19.341 6.429 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -5.377 -16.616 3.414 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -5.999 -15.558 3.221 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -5.966 -17.695 3.600 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3