REMARK VINA RESULT: -3.9 2.584 4.595 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 -0.100 13.046 -15.347 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 0.083 14.491 -15.356 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -1.158 15.167 -14.729 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.072 14.007 -14.634 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -1.407 12.843 -14.986 0.00 0.00 0.110 A ATOM 6 C UNL d 1 0.276 14.921 -16.815 0.00 0.00 0.046 C ATOM 7 C UNL d 1 1.346 14.798 -14.549 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -3.393 13.978 -14.220 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -2.040 11.612 -14.946 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -4.041 12.742 -14.160 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -3.366 11.560 -14.509 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -1.280 10.472 -15.277 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -0.588 9.752 -14.311 0.00 0.00 0.365 C ATOM 14 O UNL d 1 0.328 10.170 -13.612 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -1.015 8.460 -14.176 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -2.106 7.823 -14.870 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -0.500 7.934 -13.483 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2