REMARK VINA RESULT: -3.1 2.012 3.344 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 7.031 -8.870 -3.845 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 8.439 -9.148 -4.093 0.00 0.00 0.065 C ATOM 3 C UNL d 1 9.305 -8.257 -3.174 0.00 0.00 0.079 C ATOM 4 C UNL d 1 8.270 -7.346 -2.635 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 7.011 -7.758 -3.044 0.00 0.00 0.110 A ATOM 6 C UNL d 1 8.712 -8.856 -5.573 0.00 0.00 0.046 C ATOM 7 C UNL d 1 8.671 -10.632 -3.801 0.00 0.00 0.046 C ATOM 8 C UNL d 1 8.428 -6.252 -1.802 0.00 0.00 0.010 A ATOM 9 C UNL d 1 5.868 -7.086 -2.644 0.00 0.00 0.114 A ATOM 10 C UNL d 1 7.284 -5.573 -1.376 0.00 0.00 0.003 A ATOM 11 C UNL d 1 6.007 -5.993 -1.784 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 4.624 -7.595 -3.068 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 3.852 -8.407 -2.247 0.00 0.00 0.365 C ATOM 14 O UNL d 1 3.784 -9.630 -2.293 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 3.117 -7.716 -1.323 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 3.117 -6.293 -1.094 0.00 0.00 0.151 C ATOM 17 H UNL d 1 2.545 -8.309 -0.737 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2