REMARK VINA RESULT: 7.5 4.097 7.812 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 4.914 -3.053 14.116 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 4.264 -5.148 15.003 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 4.288 -4.363 10.170 0.00 0.00 0.103 C ATOM 4 C UNL d 1 4.205 -4.786 12.612 0.00 0.00 0.042 C ATOM 5 C UNL d 1 3.922 -5.165 11.261 0.00 0.00 0.057 C ATOM 6 C UNL d 1 5.029 -3.211 10.464 0.00 0.00 0.103 C ATOM 7 C UNL d 1 4.734 -3.524 12.877 0.00 0.00 0.075 C ATOM 8 C UNL d 1 5.167 -2.780 11.799 0.00 0.00 0.072 C ATOM 9 C UNL d 1 4.089 -5.606 13.748 0.00 0.00 0.142 C ATOM 10 C UNL d 1 4.627 -3.877 15.132 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 4.002 -4.721 8.862 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 4.836 -4.106 7.862 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 5.951 -5.002 7.285 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 7.401 -4.981 7.815 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 7.797 -5.866 8.933 0.00 0.00 0.092 N ATOM 16 C UNL d 1 7.473 -5.305 10.263 0.00 0.00 0.298 C ATOM 17 C UNL d 1 8.239 -4.012 10.582 0.00 0.00 0.198 C ATOM 18 O UNL d 1 9.657 -4.213 10.530 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 10.072 -4.777 9.278 0.00 0.00 0.198 C ATOM 20 C UNL d 1 9.284 -6.060 8.944 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 5.689 -2.381 9.597 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 4.917 -1.734 8.600 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 3.958 -6.997 13.567 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 3.300 -7.241 12.847 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 4.298 -8.005 14.481 0.00 0.00 0.035 A ATOM 26 C UNL d 1 5.275 -7.810 15.472 0.00 0.00 0.056 A ATOM 27 C UNL d 1 5.614 -8.836 16.357 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 6.803 -8.550 17.569 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 4.996 -10.072 16.242 0.00 0.00 0.138 A ATOM 30 F UNL d 1 5.295 -11.070 17.087 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 4.056 -10.301 15.242 0.00 0.00 0.046 A ATOM 32 C UNL d 1 3.716 -9.274 14.359 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8