REMARK VINA RESULT: -5.8 2.204 3.389 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 -4.723 -1.255 1.070 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -3.922 -0.676 2.139 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -3.700 -1.736 3.242 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -4.635 -2.789 2.789 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -5.167 -2.459 1.552 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -4.683 0.540 2.677 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -2.592 -0.231 1.525 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -4.960 -3.984 3.410 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -6.047 -3.303 0.898 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -5.835 -4.854 2.756 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -6.369 -4.523 1.499 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -6.508 -2.913 -0.375 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -6.380 -3.744 -1.482 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -7.173 -4.608 -1.837 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -5.236 -3.530 -2.201 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -4.228 -2.528 -1.961 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -5.138 -4.147 -2.996 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2