REMARK VINA RESULT: -5.1 2.851 4.481 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 34.710 6.916 31.838 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 35.630 7.936 31.352 0.00 0.00 0.065 C ATOM 3 C UNL d 1 34.824 9.082 30.700 0.00 0.00 0.079 C ATOM 4 C UNL d 1 33.477 8.471 30.662 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.483 7.257 31.332 0.00 0.00 0.110 A ATOM 6 C UNL d 1 36.567 7.266 30.341 0.00 0.00 0.046 C ATOM 7 C UNL d 1 36.432 8.439 32.555 0.00 0.00 0.046 C ATOM 8 C UNL d 1 32.312 8.976 30.110 0.00 0.00 0.010 A ATOM 9 C UNL d 1 32.330 6.502 31.465 0.00 0.00 0.114 A ATOM 10 C UNL d 1 31.137 8.234 30.249 0.00 0.00 0.003 A ATOM 11 C UNL d 1 31.140 7.007 30.933 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 32.412 5.301 32.197 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 32.477 5.298 33.585 0.00 0.00 0.365 C ATOM 14 O UNL d 1 31.993 6.137 34.337 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 33.165 4.234 34.102 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 33.747 3.135 33.375 0.00 0.00 0.151 C ATOM 17 H UNL d 1 33.224 4.243 35.111 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2