REMARK VINA RESULT: -5.0 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 7.472 -6.491 -5.128 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 8.499 -6.616 -6.152 0.00 0.00 0.065 C ATOM 3 C UNL d 1 9.099 -8.040 -6.103 0.00 0.00 0.079 C ATOM 4 C UNL d 1 8.497 -8.538 -4.847 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 7.581 -7.620 -4.357 0.00 0.00 0.110 A ATOM 6 C UNL d 1 9.565 -5.551 -5.868 0.00 0.00 0.046 C ATOM 7 C UNL d 1 7.834 -6.342 -7.503 0.00 0.00 0.046 C ATOM 8 C UNL d 1 8.713 -9.745 -4.202 0.00 0.00 0.010 A ATOM 9 C UNL d 1 6.857 -7.869 -3.204 0.00 0.00 0.114 A ATOM 10 C UNL d 1 7.979 -10.018 -3.046 0.00 0.00 0.003 A ATOM 11 C UNL d 1 7.045 -9.091 -2.552 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 5.915 -6.903 -2.798 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 5.965 -6.323 -1.536 0.00 0.00 0.365 C ATOM 14 O UNL d 1 6.855 -5.599 -1.105 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 4.892 -6.631 -0.745 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 3.738 -7.415 -1.105 0.00 0.00 0.151 C ATOM 17 H UNL d 1 4.939 -6.219 0.177 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2