REMARK VINA RESULT: -4.9 2.724 3.886 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 13.062 45.387 25.259 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 13.559 46.460 24.409 0.00 0.00 0.065 C ATOM 3 C UNL d 1 15.105 46.470 24.451 0.00 0.00 0.079 C ATOM 4 C UNL d 1 15.346 45.513 25.553 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 14.153 44.931 25.952 0.00 0.00 0.110 A ATOM 6 C UNL d 1 12.978 47.775 24.940 0.00 0.00 0.046 C ATOM 7 C UNL d 1 13.047 46.196 22.991 0.00 0.00 0.046 C ATOM 8 C UNL d 1 16.549 45.148 26.135 0.00 0.00 0.010 A ATOM 9 C UNL d 1 14.118 43.973 26.951 0.00 0.00 0.114 A ATOM 10 C UNL d 1 16.532 44.171 27.133 0.00 0.00 0.003 A ATOM 11 C UNL d 1 15.324 43.575 27.534 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 12.870 43.399 27.268 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 12.586 42.935 28.546 0.00 0.00 0.365 C ATOM 14 O UNL d 1 12.476 43.617 29.558 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 12.428 41.578 28.617 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 12.468 40.636 27.527 0.00 0.00 0.151 C ATOM 17 H UNL d 1 12.236 41.242 29.551 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2