REMARK VINA RESULT: -4.5 3.035 5.119 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 14.459 45.446 25.139 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 13.794 46.618 24.587 0.00 0.00 0.065 C ATOM 3 C UNL d 1 12.963 47.303 25.696 0.00 0.00 0.079 C ATOM 4 C UNL d 1 13.046 46.279 26.761 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 13.915 45.267 26.385 0.00 0.00 0.110 A ATOM 6 C UNL d 1 12.903 46.142 23.435 0.00 0.00 0.046 C ATOM 7 C UNL d 1 14.882 47.553 24.055 0.00 0.00 0.046 C ATOM 8 C UNL d 1 12.428 46.266 28.000 0.00 0.00 0.010 A ATOM 9 C UNL d 1 14.189 44.203 27.228 0.00 0.00 0.114 A ATOM 10 C UNL d 1 12.706 45.208 28.868 0.00 0.00 0.003 A ATOM 11 C UNL d 1 13.593 44.185 28.491 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 15.118 43.238 26.787 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 16.460 43.550 26.606 0.00 0.00 0.365 C ATOM 14 O UNL d 1 17.218 44.015 27.449 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 16.918 43.293 25.342 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 16.187 42.700 24.252 0.00 0.00 0.151 C ATOM 17 H UNL d 1 17.891 43.534 25.209 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2