REMARK VINA RESULT: -6.0 2.034 3.673 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 -6.496 -3.460 0.466 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -5.912 -4.249 -0.609 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -5.917 -3.418 -1.913 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -6.756 -2.273 -1.494 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -7.035 -2.355 -0.139 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -6.752 -5.522 -0.755 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -4.484 -4.609 -0.190 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -7.205 -1.206 -2.254 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -7.780 -1.380 0.503 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -7.945 -0.207 -1.618 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -8.223 -0.284 -0.243 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -7.983 -1.515 1.891 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -7.144 -0.900 2.812 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -6.884 0.297 2.871 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -6.581 -1.766 3.708 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -6.815 -3.184 3.818 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -5.959 -1.318 4.368 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2