REMARK VINA RESULT: -5.2 1.516 1.903 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 35.430 4.559 27.330 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 37.210 5.608 28.484 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 33.005 7.978 27.658 0.00 0.00 0.103 C ATOM 4 C UNL d 1 35.172 6.837 28.046 0.00 0.00 0.042 C ATOM 5 C UNL d 1 34.348 8.007 28.061 0.00 0.00 0.057 C ATOM 6 C UNL d 1 32.481 6.722 27.325 0.00 0.00 0.103 C ATOM 7 C UNL d 1 34.682 5.657 27.488 0.00 0.00 0.075 C ATOM 8 C UNL d 1 33.340 5.615 27.173 0.00 0.00 0.072 C ATOM 9 C UNL d 1 36.443 6.705 28.634 0.00 0.00 0.142 C ATOM 10 C UNL d 1 36.683 4.599 27.799 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 32.210 9.113 27.658 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 31.750 9.540 28.954 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 30.795 8.567 29.673 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 31.267 7.579 30.762 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 32.686 7.558 31.182 0.00 0.00 0.092 N ATOM 16 C UNL d 1 33.210 6.193 31.400 0.00 0.00 0.298 C ATOM 17 C UNL d 1 32.516 5.451 32.553 0.00 0.00 0.198 C ATOM 18 O UNL d 1 32.640 6.166 33.790 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 32.174 7.517 33.675 0.00 0.00 0.198 C ATOM 20 C UNL d 1 32.850 8.254 32.500 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 31.173 6.377 27.112 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 30.846 4.999 27.168 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 36.862 7.680 29.560 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 37.106 8.555 29.130 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 37.338 7.462 30.861 0.00 0.00 0.035 A ATOM 26 C UNL d 1 36.473 7.386 31.966 0.00 0.00 0.056 A ATOM 27 C UNL d 1 36.972 7.191 33.255 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 35.876 7.086 34.580 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 38.341 7.093 33.454 0.00 0.00 0.138 A ATOM 30 F UNL d 1 38.844 6.893 34.681 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 39.219 7.206 32.381 0.00 0.00 0.046 A ATOM 32 C UNL d 1 38.720 7.399 31.091 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8