REMARK VINA RESULT: -7.9 3.896 7.313 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 -7.011 -3.256 7.570 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -9.251 -4.000 7.412 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -7.107 -1.671 3.676 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -8.251 -2.801 5.564 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -8.270 -2.173 4.277 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -5.905 -1.895 4.359 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -7.077 -2.797 6.314 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -5.924 -2.378 5.684 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -9.300 -3.532 6.149 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -8.121 -3.801 8.081 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -7.126 -1.050 2.437 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -7.295 -1.932 1.311 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -5.990 -2.428 0.657 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -5.959 -3.538 -0.417 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -5.307 -3.290 -1.722 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -5.104 -4.522 -2.516 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -4.143 -5.522 -1.854 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -2.854 -4.939 -1.621 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -2.946 -3.720 -0.871 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -3.932 -2.726 -1.520 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 -4.625 -1.710 3.910 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -3.576 -1.863 4.851 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -10.372 -3.946 5.335 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -11.097 -3.254 5.254 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -10.713 -5.261 4.989 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -10.010 -6.368 5.494 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -10.354 -7.668 5.118 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -9.478 -8.998 5.774 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -11.388 -7.871 4.216 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -11.745 -9.110 3.848 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -12.071 -6.788 3.672 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -11.729 -5.488 4.049 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8