REMARK VINA RESULT: -4.3 3.637 5.940 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 -6.099 -16.521 3.970 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.233 -17.080 2.626 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -3.789 -13.956 6.371 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -3.981 -15.486 4.430 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -3.250 -14.539 5.216 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -5.051 -14.416 6.771 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -5.318 -15.743 4.728 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -5.813 -15.231 5.909 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -3.461 -16.292 3.400 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -5.528 -17.125 2.920 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -3.089 -13.028 7.126 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -3.468 -11.655 6.915 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -2.674 -10.908 5.824 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -1.413 -11.495 5.154 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -0.074 -10.966 5.501 0.00 0.00 0.092 N ATOM 16 C UNL d 1 1.026 -11.653 4.789 0.00 0.00 0.298 C ATOM 17 C UNL d 1 1.155 -13.139 5.156 0.00 0.00 0.198 C ATOM 18 O UNL d 1 1.370 -13.318 6.562 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 0.360 -12.667 7.345 0.00 0.00 0.198 C ATOM 20 C UNL d 1 0.210 -11.181 6.957 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 -5.704 -14.184 7.952 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -6.336 -15.290 8.574 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -2.064 -16.418 3.281 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -1.672 -15.821 2.574 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -1.272 -17.493 3.711 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -0.640 -18.359 2.803 0.00 0.00 0.056 A ATOM 27 C UNL d 1 0.125 -19.437 3.253 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 0.898 -20.464 2.108 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 0.246 -19.670 4.615 0.00 0.00 0.138 A ATOM 30 F UNL d 1 0.985 -20.691 5.074 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -0.405 -18.850 5.532 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -1.168 -17.772 5.081 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8