REMARK VINA RESULT: -5.6 0.972 1.402 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 47.322 61.784 58.968 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 45.981 63.059 60.443 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 45.444 63.442 55.591 0.00 0.00 0.103 C ATOM 4 C UNL d 1 45.723 63.324 58.052 0.00 0.00 0.042 C ATOM 5 C UNL d 1 45.169 63.927 56.877 0.00 0.00 0.057 C ATOM 6 C UNL d 1 46.219 62.277 55.515 0.00 0.00 0.103 C ATOM 7 C UNL d 1 46.673 62.313 57.924 0.00 0.00 0.075 C ATOM 8 C UNL d 1 46.874 61.788 56.664 0.00 0.00 0.072 C ATOM 9 C UNL d 1 45.338 63.581 59.380 0.00 0.00 0.142 C ATOM 10 C UNL d 1 46.975 62.216 60.186 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 44.921 64.033 54.451 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 44.817 65.469 54.498 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 43.562 66.065 53.829 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 43.068 67.502 54.103 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 43.070 68.038 55.483 0.00 0.00 0.092 N ATOM 16 C UNL d 1 42.124 67.341 56.382 0.00 0.00 0.298 C ATOM 17 C UNL d 1 40.654 67.509 55.968 0.00 0.00 0.198 C ATOM 18 O UNL d 1 40.274 68.891 55.925 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 41.149 69.661 55.089 0.00 0.00 0.198 C ATOM 20 C UNL d 1 42.627 69.470 55.487 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 46.453 61.482 54.426 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 47.648 61.709 53.699 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 44.131 64.267 59.613 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 44.267 65.226 59.885 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 42.877 63.704 59.892 0.00 0.00 0.035 A ATOM 26 C UNL d 1 41.945 63.428 58.878 0.00 0.00 0.056 A ATOM 27 C UNL d 1 40.693 62.888 59.182 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 39.586 62.547 57.908 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 40.356 62.640 60.505 0.00 0.00 0.138 A ATOM 30 F UNL d 1 39.166 62.111 60.822 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 41.248 62.944 61.529 0.00 0.00 0.046 A ATOM 32 C UNL d 1 42.500 63.482 61.224 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8