REMARK VINA RESULT: -5.8 2.380 5.209 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 31.702 76.731 105.016 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 30.547 76.404 104.192 0.00 0.00 0.065 C ATOM 3 C UNL d 1 30.430 74.868 104.064 0.00 0.00 0.079 C ATOM 4 C UNL d 1 31.721 74.453 104.657 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 32.380 75.552 105.185 0.00 0.00 0.110 A ATOM 6 C UNL d 1 30.756 77.063 102.824 0.00 0.00 0.046 C ATOM 7 C UNL d 1 29.313 76.997 104.875 0.00 0.00 0.046 C ATOM 8 C UNL d 1 32.256 73.180 104.762 0.00 0.00 0.010 A ATOM 9 C UNL d 1 33.600 75.420 105.826 0.00 0.00 0.114 A ATOM 10 C UNL d 1 33.479 73.029 105.420 0.00 0.00 0.003 A ATOM 11 C UNL d 1 34.145 74.140 105.962 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 34.184 76.580 106.373 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 35.559 76.777 106.363 0.00 0.00 0.365 C ATOM 14 O UNL d 1 36.345 76.457 107.248 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 36.019 77.395 105.233 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 35.251 77.788 104.078 0.00 0.00 0.151 C ATOM 17 H UNL d 1 37.018 77.550 105.235 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2