REMARK VINA RESULT: 5.6 0.000 0.000 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 9.030 -3.029 11.684 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 9.429 -4.198 9.666 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 5.240 -4.795 12.129 0.00 0.00 0.103 C ATOM 4 C UNL d 1 7.370 -4.568 10.881 0.00 0.00 0.042 C ATOM 5 C UNL d 1 6.112 -5.211 11.114 0.00 0.00 0.057 C ATOM 6 C UNL d 1 5.620 -3.655 12.850 0.00 0.00 0.103 C ATOM 7 C UNL d 1 7.817 -3.589 11.766 0.00 0.00 0.075 C ATOM 8 C UNL d 1 6.920 -3.130 12.708 0.00 0.00 0.072 C ATOM 9 C UNL d 1 8.205 -4.753 9.765 0.00 0.00 0.142 C ATOM 10 C UNL d 1 9.804 -3.394 10.654 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 4.028 -5.425 12.366 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 3.870 -5.971 13.690 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 4.133 -7.485 13.818 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 5.057 -8.087 14.899 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 4.494 -8.528 16.195 0.00 0.00 0.092 N ATOM 16 C UNL d 1 5.448 -8.400 17.318 0.00 0.00 0.298 C ATOM 17 C UNL d 1 6.685 -9.299 17.174 0.00 0.00 0.198 C ATOM 18 O UNL d 1 6.321 -10.682 17.071 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 5.377 -10.909 16.015 0.00 0.00 0.198 C ATOM 20 C UNL d 1 4.148 -9.986 16.143 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 4.873 -2.918 13.730 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 4.836 -3.355 15.078 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 7.680 -5.396 8.627 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 8.302 -6.086 8.241 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 6.653 -4.933 7.792 0.00 0.00 0.035 A ATOM 26 C UNL d 1 5.481 -4.354 8.307 0.00 0.00 0.056 A ATOM 27 C UNL d 1 4.461 -3.922 7.457 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 3.049 -3.201 8.129 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 4.595 -4.085 6.087 0.00 0.00 0.138 A ATOM 30 F UNL d 1 3.635 -3.668 5.249 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 5.728 -4.694 5.557 0.00 0.00 0.046 A ATOM 32 C UNL d 1 6.749 -5.125 6.406 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8