REMARK VINA RESULT: -5.7 2.022 3.941 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 -3.595 -2.637 0.746 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -2.379 -2.001 1.233 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -2.754 -0.879 2.228 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -4.218 -0.822 2.024 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -4.626 -1.849 1.187 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -1.633 -1.443 0.016 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -1.537 -3.083 1.913 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -5.136 0.054 2.579 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -5.961 -2.031 0.867 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -6.488 -0.125 2.278 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -6.903 -1.170 1.435 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -6.296 -3.125 0.045 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -6.562 -2.962 -1.309 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -6.599 -1.900 -1.920 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -6.802 -4.137 -1.968 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -6.745 -5.471 -1.425 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -7.010 -4.015 -2.950 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2