REMARK VINA RESULT: -4.9 2.737 4.421 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 32.812 6.446 32.443 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 33.452 5.215 32.886 0.00 0.00 0.065 C ATOM 3 C UNL d 1 34.909 5.520 33.303 0.00 0.00 0.079 C ATOM 4 C UNL d 1 35.041 6.909 32.812 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.818 7.372 32.352 0.00 0.00 0.110 A ATOM 6 C UNL d 1 33.400 4.223 31.720 0.00 0.00 0.046 C ATOM 7 C UNL d 1 32.641 4.677 34.068 0.00 0.00 0.046 C ATOM 8 C UNL d 1 36.159 7.726 32.814 0.00 0.00 0.010 A ATOM 9 C UNL d 1 33.671 8.662 31.869 0.00 0.00 0.114 A ATOM 10 C UNL d 1 36.024 9.034 32.344 0.00 0.00 0.003 A ATOM 11 C UNL d 1 34.783 9.507 31.884 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 32.385 9.068 31.461 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 32.129 9.472 30.156 0.00 0.00 0.365 C ATOM 14 O UNL d 1 32.703 10.368 29.548 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 31.128 8.765 29.547 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 30.391 7.652 30.089 0.00 0.00 0.151 C ATOM 17 H UNL d 1 30.935 9.071 28.603 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2