REMARK VINA RESULT: -4.5 2.723 3.413 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 33.525 5.859 31.532 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 33.552 5.766 30.079 0.00 0.00 0.065 C ATOM 3 C UNL d 1 34.859 6.400 29.551 0.00 0.00 0.079 C ATOM 4 C UNL d 1 35.365 7.035 30.788 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 34.572 6.678 31.868 0.00 0.00 0.110 A ATOM 6 C UNL d 1 32.319 6.504 29.547 0.00 0.00 0.046 C ATOM 7 C UNL d 1 33.472 4.282 29.714 0.00 0.00 0.046 C ATOM 8 C UNL d 1 36.480 7.839 30.955 0.00 0.00 0.010 A ATOM 9 C UNL d 1 34.858 7.119 33.149 0.00 0.00 0.114 A ATOM 10 C UNL d 1 36.791 8.279 32.244 0.00 0.00 0.003 A ATOM 11 C UNL d 1 35.992 7.913 33.340 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 34.028 6.675 34.197 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 32.710 6.298 33.972 0.00 0.00 0.365 C ATOM 14 O UNL d 1 32.275 5.153 33.954 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 31.866 7.352 33.751 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 32.192 8.755 33.789 0.00 0.00 0.151 C ATOM 17 H UNL d 1 30.910 7.074 33.572 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2