REMARK VINA RESULT: 7.4 2.756 4.227 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 4.845 -4.445 15.676 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 4.772 -3.193 13.669 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 4.301 -8.066 13.609 0.00 0.00 0.103 C ATOM 4 C UNL d 1 4.594 -5.604 13.587 0.00 0.00 0.042 C ATOM 5 C UNL d 1 4.497 -6.864 12.914 0.00 0.00 0.057 C ATOM 6 C UNL d 1 4.113 -7.963 14.993 0.00 0.00 0.103 C ATOM 7 C UNL d 1 4.636 -5.569 14.979 0.00 0.00 0.075 C ATOM 8 C UNL d 1 4.359 -6.741 15.651 0.00 0.00 0.072 C ATOM 9 C UNL d 1 4.562 -4.334 12.984 0.00 0.00 0.142 C ATOM 10 C UNL d 1 4.948 -3.305 14.981 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 4.221 -9.289 12.960 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 4.835 -10.392 13.654 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 5.729 -10.007 14.850 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 6.606 -11.030 15.605 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 6.817 -10.894 17.064 0.00 0.00 0.092 N ATOM 16 C UNL d 1 6.462 -9.555 17.582 0.00 0.00 0.298 C ATOM 17 C UNL d 1 7.342 -8.429 17.017 0.00 0.00 0.198 C ATOM 18 O UNL d 1 8.729 -8.651 17.303 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 9.168 -9.940 16.854 0.00 0.00 0.198 C ATOM 20 C UNL d 1 8.268 -11.069 17.399 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 3.694 -8.930 15.868 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 3.812 -8.650 17.253 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 4.121 -4.229 11.651 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 3.133 -4.384 11.548 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 4.901 -4.337 10.491 0.00 0.00 0.035 A ATOM 26 C UNL d 1 4.383 -4.049 9.217 0.00 0.00 0.056 A ATOM 27 C UNL d 1 5.172 -4.186 8.074 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 4.503 -3.805 6.533 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 6.479 -4.633 8.192 0.00 0.00 0.138 A ATOM 30 F UNL d 1 7.261 -4.761 7.110 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 7.001 -4.964 9.438 0.00 0.00 0.046 A ATOM 32 C UNL d 1 6.213 -4.826 10.582 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8