REMARK VINA RESULT: -8.1 1.487 1.893 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 -4.885 -2.712 6.439 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.201 -2.276 4.215 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -8.948 -2.652 5.358 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -6.555 -2.513 4.724 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -7.943 -2.586 4.382 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -8.530 -2.551 6.692 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -6.166 -2.649 6.055 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -7.159 -2.630 7.011 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -5.496 -2.217 3.847 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -3.954 -2.565 5.488 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -10.292 -2.738 5.029 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -10.896 -4.027 5.249 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -9.910 -5.193 5.458 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -10.365 -6.617 5.845 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -10.841 -6.898 7.218 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -9.855 -7.636 8.037 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -9.551 -9.044 7.502 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -10.736 -9.846 7.423 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -11.767 -9.202 6.660 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -12.054 -7.778 7.180 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 -9.298 -2.371 7.811 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -9.551 -3.510 8.617 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -5.797 -1.668 2.586 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -6.590 -1.051 2.602 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -5.408 -2.164 1.333 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -4.760 -1.356 0.383 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.403 -1.865 -0.867 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -3.593 -0.847 -1.996 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -4.711 -3.179 -1.187 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -4.368 -3.695 -2.376 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -5.389 -3.985 -0.278 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -5.745 -3.476 0.973 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8