REMARK VINA RESULT: -6.6 2.989 4.001 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 -3.160 0.633 3.391 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -1.795 0.561 2.891 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -1.243 -0.865 3.116 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.308 -1.429 3.975 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -3.363 -0.536 4.077 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -0.970 1.606 3.651 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -1.833 0.909 1.401 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -2.360 -2.669 4.588 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -4.501 -0.845 4.803 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -3.507 -3.002 5.312 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -4.580 -2.101 5.411 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.546 0.100 4.821 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -6.826 -0.222 4.386 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -7.429 -1.264 4.613 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -7.414 0.758 3.634 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -6.877 2.057 3.318 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -8.340 0.515 3.307 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2