REMARK VINA RESULT: -6.4 1.686 2.033 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 33.118 75.249 105.452 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 34.045 75.052 106.558 0.00 0.00 0.065 C ATOM 3 C UNL d 1 35.219 76.050 106.424 0.00 0.00 0.079 C ATOM 4 C UNL d 1 34.960 76.583 105.068 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.754 76.099 104.585 0.00 0.00 0.110 A ATOM 6 C UNL d 1 34.536 73.602 106.494 0.00 0.00 0.046 C ATOM 7 C UNL d 1 33.268 75.285 107.855 0.00 0.00 0.046 C ATOM 8 C UNL d 1 35.720 77.473 104.328 0.00 0.00 0.010 A ATOM 9 C UNL d 1 33.270 76.479 103.344 0.00 0.00 0.114 A ATOM 10 C UNL d 1 35.238 77.877 103.081 0.00 0.00 0.003 A ATOM 11 C UNL d 1 34.012 77.393 102.593 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 32.015 75.975 102.946 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 30.829 76.561 103.371 0.00 0.00 0.365 C ATOM 14 O UNL d 1 30.338 76.477 104.491 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 30.193 77.283 102.399 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 30.650 77.532 101.055 0.00 0.00 0.151 C ATOM 17 H UNL d 1 29.322 77.696 102.707 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2