REMARK VINA RESULT: -5.3 2.168 3.214 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 10.544 4.089 -9.106 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 10.559 3.226 -7.934 0.00 0.00 0.065 C ATOM 3 C UNL d 1 11.911 2.480 -7.866 0.00 0.00 0.079 C ATOM 4 C UNL d 1 12.471 2.823 -9.192 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 11.655 3.744 -9.832 0.00 0.00 0.110 A ATOM 6 C UNL d 1 9.387 2.247 -8.068 0.00 0.00 0.046 C ATOM 7 C UNL d 1 10.358 4.118 -6.706 0.00 0.00 0.046 C ATOM 8 C UNL d 1 13.647 2.384 -9.775 0.00 0.00 0.010 A ATOM 9 C UNL d 1 11.980 4.249 -11.079 0.00 0.00 0.114 A ATOM 10 C UNL d 1 13.997 2.897 -11.026 0.00 0.00 0.003 A ATOM 11 C UNL d 1 13.175 3.835 -11.673 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 11.120 5.214 -11.642 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 10.112 4.859 -12.530 0.00 0.00 0.365 C ATOM 14 O UNL d 1 9.296 3.957 -12.379 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 10.082 5.625 -13.663 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 10.922 6.753 -13.977 0.00 0.00 0.151 C ATOM 17 H UNL d 1 9.356 5.355 -14.314 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2