REMARK VINA RESULT: -6.6 3.032 4.624 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_2 and C_12 REMARK 2 A between atoms: O_2 and C_15 REMARK I between atoms: N_4 and C_15 ROOT ATOM 1 O UNL d 1 -2.850 -0.132 5.228 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -1.454 -0.511 5.059 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -1.382 -1.908 4.400 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.803 -2.312 4.477 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -3.576 -1.259 4.941 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -0.806 -0.514 6.447 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -0.795 0.551 4.175 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -3.381 -3.518 4.117 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -4.949 -1.376 5.072 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -4.767 -3.646 4.228 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -5.553 -2.578 4.692 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.666 -0.245 5.510 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -6.788 0.214 4.830 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -6.796 0.785 3.746 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -7.965 -0.021 5.487 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -8.144 -0.722 6.733 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -8.777 0.327 4.997 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2