REMARK VINA RESULT: -6.0 1.702 3.520 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 33.642 77.694 104.017 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 35.001 77.815 103.508 0.00 0.00 0.065 C ATOM 3 C UNL d 1 35.960 77.008 104.413 0.00 0.00 0.079 C ATOM 4 C UNL d 1 35.053 76.683 105.537 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.760 77.087 105.241 0.00 0.00 0.110 A ATOM 6 C UNL d 1 35.359 79.305 103.504 0.00 0.00 0.046 C ATOM 7 C UNL d 1 35.004 77.272 102.077 0.00 0.00 0.046 C ATOM 8 C UNL d 1 35.344 76.032 106.724 0.00 0.00 0.010 A ATOM 9 C UNL d 1 32.717 76.865 106.123 0.00 0.00 0.114 A ATOM 10 C UNL d 1 34.299 75.787 107.617 0.00 0.00 0.003 A ATOM 11 C UNL d 1 32.987 76.190 107.316 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 31.425 77.268 105.729 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 30.553 76.394 105.091 0.00 0.00 0.365 C ATOM 14 O UNL d 1 30.604 75.170 105.118 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 29.568 77.021 104.379 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 29.326 78.439 104.284 0.00 0.00 0.151 C ATOM 17 H UNL d 1 28.944 76.383 103.904 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2