REMARK VINA RESULT: -6.8 3.564 6.132 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 29.482 79.103 99.346 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 28.323 78.627 101.354 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 33.186 78.118 101.076 0.00 0.00 0.103 C ATOM 4 C UNL d 1 30.719 78.305 101.243 0.00 0.00 0.042 C ATOM 5 C UNL d 1 31.987 77.897 101.769 0.00 0.00 0.057 C ATOM 6 C UNL d 1 33.091 78.843 99.880 0.00 0.00 0.103 C ATOM 7 C UNL d 1 30.641 78.812 99.948 0.00 0.00 0.075 C ATOM 8 C UNL d 1 31.828 79.103 99.309 0.00 0.00 0.072 C ATOM 9 C UNL d 1 29.500 78.338 101.944 0.00 0.00 0.142 C ATOM 10 C UNL d 1 28.364 78.954 100.067 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 34.413 77.711 101.576 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 34.847 78.394 102.767 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 35.572 77.517 103.807 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 34.845 76.846 104.992 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 33.599 76.080 104.761 0.00 0.00 0.092 N ATOM 16 C UNL d 1 32.395 76.748 105.300 0.00 0.00 0.298 C ATOM 17 C UNL d 1 32.412 76.894 106.829 0.00 0.00 0.198 C ATOM 18 O UNL d 1 32.528 75.622 107.479 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 33.663 74.882 107.007 0.00 0.00 0.198 C ATOM 20 C UNL d 1 33.661 74.759 105.469 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 34.103 79.378 99.129 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 34.140 80.789 98.998 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 29.524 78.240 103.348 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 30.401 78.527 103.749 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 28.685 77.460 104.157 0.00 0.00 0.035 A ATOM 26 C UNL d 1 28.073 77.980 105.311 0.00 0.00 0.056 A ATOM 27 C UNL d 1 27.259 77.178 106.114 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 26.514 77.858 107.509 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 27.069 75.845 105.783 0.00 0.00 0.138 A ATOM 30 F UNL d 1 26.282 75.057 106.531 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 27.698 75.299 104.668 0.00 0.00 0.046 A ATOM 32 C UNL d 1 28.510 76.101 103.864 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8