REMARK VINA RESULT: -5.9 2.562 5.082 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 33.272 76.262 105.660 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 32.180 76.302 104.698 0.00 0.00 0.065 C ATOM 3 C UNL d 1 31.705 74.860 104.405 0.00 0.00 0.079 C ATOM 4 C UNL d 1 32.775 74.088 105.075 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.616 74.940 105.774 0.00 0.00 0.110 A ATOM 6 C UNL d 1 32.706 76.985 103.432 0.00 0.00 0.046 C ATOM 7 C UNL d 1 31.056 77.138 105.316 0.00 0.00 0.046 C ATOM 8 C UNL d 1 32.965 72.716 105.102 0.00 0.00 0.010 A ATOM 9 C UNL d 1 34.680 74.455 106.514 0.00 0.00 0.114 A ATOM 10 C UNL d 1 34.026 72.210 105.857 0.00 0.00 0.003 A ATOM 11 C UNL d 1 34.874 73.072 106.571 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 35.461 75.385 107.230 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 35.910 76.562 106.644 0.00 0.00 0.365 C ATOM 14 O UNL d 1 36.588 76.654 105.628 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 35.527 77.691 107.314 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 34.689 77.771 108.484 0.00 0.00 0.151 C ATOM 17 H UNL d 1 35.868 78.546 106.894 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2