REMARK VINA RESULT: -6.7 0.000 0.000 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 33.709 76.285 106.198 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 34.958 76.407 106.938 0.00 0.00 0.065 C ATOM 3 C UNL d 1 35.992 77.163 106.072 0.00 0.00 0.079 C ATOM 4 C UNL d 1 35.280 77.193 104.775 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.995 76.694 104.922 0.00 0.00 0.110 A ATOM 6 C UNL d 1 35.437 74.989 107.269 0.00 0.00 0.046 C ATOM 7 C UNL d 1 34.653 77.172 108.228 0.00 0.00 0.046 C ATOM 8 C UNL d 1 35.725 77.673 103.554 0.00 0.00 0.010 A ATOM 9 C UNL d 1 33.115 76.647 103.854 0.00 0.00 0.114 A ATOM 10 C UNL d 1 34.844 77.646 102.472 0.00 0.00 0.003 A ATOM 11 C UNL d 1 33.539 77.147 102.620 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 31.813 76.165 104.098 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 31.495 74.821 103.950 0.00 0.00 0.365 C ATOM 14 O UNL d 1 32.254 73.932 103.582 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 30.195 74.525 104.258 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 29.188 75.428 104.755 0.00 0.00 0.151 C ATOM 17 H UNL d 1 29.963 73.549 104.135 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2