REMARK VINA RESULT: -5.6 2.594 3.880 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 -4.661 -4.423 2.614 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.226 -4.152 3.977 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -4.857 -2.827 4.461 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -5.427 -2.326 3.191 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -5.293 -3.281 2.195 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -2.695 -4.070 3.963 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -4.678 -5.329 4.845 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -6.064 -1.121 2.944 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -5.779 -3.063 0.918 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -6.574 -0.892 1.664 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -6.445 -1.862 0.655 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.640 -4.102 -0.024 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -6.026 -3.939 -1.350 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -7.142 -4.145 -1.812 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -5.017 -3.508 -2.167 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -3.670 -3.166 -1.786 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -5.296 -3.405 -3.134 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2