REMARK VINA RESULT: -6.7 2.038 3.009 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 34.103 76.891 105.546 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 35.036 76.375 106.538 0.00 0.00 0.065 C ATOM 3 C UNL d 1 34.986 74.830 106.530 0.00 0.00 0.079 C ATOM 4 C UNL d 1 33.806 74.607 105.664 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.368 75.810 105.134 0.00 0.00 0.110 A ATOM 6 C UNL d 1 34.619 76.940 107.900 0.00 0.00 0.046 C ATOM 7 C UNL d 1 36.430 76.884 106.164 0.00 0.00 0.046 C ATOM 8 C UNL d 1 33.189 73.413 105.332 0.00 0.00 0.010 A ATOM 9 C UNL d 1 32.293 75.864 104.262 0.00 0.00 0.114 A ATOM 10 C UNL d 1 32.114 73.449 104.442 0.00 0.00 0.003 A ATOM 11 C UNL d 1 31.672 74.667 103.898 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 31.938 77.121 103.734 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 31.224 77.237 102.548 0.00 0.00 0.365 C ATOM 14 O UNL d 1 31.601 76.887 101.436 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 29.989 77.807 102.702 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 29.367 78.224 103.933 0.00 0.00 0.151 C ATOM 17 H UNL d 1 29.478 77.903 101.834 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2