REMARK VINA RESULT: -5.3 2.107 2.448 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 47.208 61.721 59.284 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 45.789 62.882 60.779 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 45.551 63.685 55.955 0.00 0.00 0.103 C ATOM 4 C UNL d 1 45.679 63.353 58.408 0.00 0.00 0.042 C ATOM 5 C UNL d 1 45.202 64.061 57.259 0.00 0.00 0.057 C ATOM 6 C UNL d 1 46.321 62.520 55.826 0.00 0.00 0.103 C ATOM 7 C UNL d 1 46.627 62.345 58.252 0.00 0.00 0.075 C ATOM 8 C UNL d 1 46.901 61.927 56.966 0.00 0.00 0.072 C ATOM 9 C UNL d 1 45.216 63.501 59.729 0.00 0.00 0.142 C ATOM 10 C UNL d 1 46.790 62.051 60.512 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 45.103 64.378 54.841 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 43.890 65.129 55.034 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 43.605 66.211 53.973 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 44.565 67.387 53.694 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 44.641 67.980 52.340 0.00 0.00 0.092 N ATOM 16 C UNL d 1 45.998 68.445 51.982 0.00 0.00 0.298 C ATOM 17 C UNL d 1 46.504 69.591 52.870 0.00 0.00 0.198 C ATOM 18 O UNL d 1 45.629 70.726 52.816 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 44.275 70.372 53.130 0.00 0.00 0.198 C ATOM 20 C UNL d 1 43.776 69.202 52.257 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 46.614 61.818 54.688 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 47.872 62.059 54.081 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 44.002 64.180 59.947 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 44.128 65.105 60.321 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 42.727 63.612 60.084 0.00 0.00 0.035 A ATOM 26 C UNL d 1 41.904 63.359 58.974 0.00 0.00 0.056 A ATOM 27 C UNL d 1 40.629 62.814 59.136 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 39.659 62.502 57.748 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 40.157 62.539 60.411 0.00 0.00 0.138 A ATOM 30 F UNL d 1 38.941 62.004 60.592 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 40.939 62.820 61.527 0.00 0.00 0.046 A ATOM 32 C UNL d 1 42.215 63.363 61.365 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8