REMARK VINA RESULT: -7.8 2.528 5.360 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 1 114.050 88.679 49.916 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 112.277 87.266 49.239 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 114.739 86.402 53.383 0.00 0.00 0.103 C ATOM 4 C UNL d 1 113.505 86.768 51.263 0.00 0.00 0.042 C ATOM 5 C UNL d 1 113.827 85.971 52.408 0.00 0.00 0.057 C ATOM 6 C UNL d 1 115.253 87.696 53.227 0.00 0.00 0.103 C ATOM 7 C UNL d 1 114.210 87.945 51.023 0.00 0.00 0.075 C ATOM 8 C UNL d 1 115.042 88.401 52.025 0.00 0.00 0.072 C ATOM 9 C UNL d 1 112.452 86.538 50.359 0.00 0.00 0.142 C ATOM 10 C UNL d 1 113.114 88.280 49.046 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 115.063 85.626 54.484 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 114.029 85.511 55.480 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 112.719 84.854 55.002 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 111.528 84.574 55.944 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 111.612 84.940 57.376 0.00 0.00 0.092 N ATOM 16 C UNL d 1 110.950 83.964 58.268 0.00 0.00 0.298 C ATOM 17 C UNL d 1 109.434 83.864 58.043 0.00 0.00 0.198 C ATOM 18 O UNL d 1 108.788 85.130 58.233 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 109.376 86.156 57.421 0.00 0.00 0.198 C ATOM 20 C UNL d 1 110.903 86.238 57.625 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 1 115.976 88.436 54.124 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 115.577 88.384 55.483 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 111.438 85.630 50.719 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 110.615 86.080 51.081 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 111.586 84.264 50.999 0.00 0.00 0.035 A ATOM 26 C UNL d 1 110.864 83.635 52.027 0.00 0.00 0.056 A ATOM 27 C UNL d 1 111.044 82.278 52.303 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 110.127 81.541 53.561 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 111.964 81.544 51.568 0.00 0.00 0.138 A ATOM 30 F UNL d 1 112.146 80.237 51.806 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 112.719 82.156 50.573 0.00 0.00 0.046 A ATOM 32 C UNL d 1 112.538 83.512 50.296 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8