REMARK VINA RESULT: -5.7 2.231 6.780 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_19 REMARK 2 A between atoms: C_13 and O_1 REMARK 3 A between atoms: C_14 and O_3 REMARK 4 A between atoms: O_4 and C_22 REMARK 5 A between atoms: O_5 and C_24 REMARK 6 A between atoms: O_6 and C_26 REMARK 7 A between atoms: O_8 and C_30 REMARK 8 A between atoms: O_11 and C_35 REMARK 9 A between atoms: N_12 and C_21 REMARK 10 A between atoms: C_14 and C_25 REMARK 11 A between atoms: C_25 and C_30 ROOT ATOM 1 O UNL d 1 110.868 82.797 55.462 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 109.954 82.465 50.348 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 112.595 87.333 53.750 0.00 0.00 0.164 C ATOM 4 C UNL d 1 112.944 88.192 51.376 0.00 0.00 0.127 C ATOM 5 C UNL d 1 112.438 88.511 52.787 0.00 0.00 0.083 C ATOM 6 C UNL d 1 112.007 87.135 50.786 0.00 0.00 0.088 C ATOM 7 C UNL d 1 112.200 86.006 53.089 0.00 0.00 0.014 A ATOM 8 C UNL d 1 111.836 85.943 51.721 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 112.027 84.849 53.883 0.00 0.00 0.090 A ATOM 10 C UNL d 1 111.242 84.771 51.222 0.00 0.00 0.088 A ATOM 11 C UNL d 1 111.391 83.689 53.388 0.00 0.00 0.066 A ATOM 12 C UNL d 1 111.016 83.653 52.048 0.00 0.00 0.066 A ATOM 13 C UNL d 1 110.990 82.561 54.268 0.00 0.00 0.200 C ATOM 14 C UNL d 1 110.357 82.459 51.506 0.00 0.00 0.197 C ATOM 15 C UNL d 1 110.567 81.245 53.712 0.00 0.00 0.062 A ATOM 16 C UNL d 1 110.214 81.247 52.347 0.00 0.00 0.032 A ATOM 17 C UNL d 1 110.405 80.041 54.435 0.00 0.00 0.083 A ATOM 18 C UNL d 1 109.685 80.106 51.715 0.00 0.00 0.017 A ATOM 19 C UNL d 1 109.874 78.912 53.769 0.00 0.00 0.038 A ATOM 20 C UNL d 1 109.508 78.937 52.430 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 113.900 87.252 54.379 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 114.044 88.028 55.594 0.00 0.00 0.263 C ATOM 23 O UNL d 1 115.068 87.517 56.462 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 114.731 86.346 57.216 0.00 0.00 0.151 C ATOM 25 C UNL d 1 113.456 86.567 58.054 0.00 0.00 0.179 C ATOM 26 C UNL d 1 115.928 85.999 58.102 0.00 0.00 0.042 C ATOM 27 C UNL d 1 112.323 86.989 57.098 0.00 0.00 0.253 C ATOM 28 C UNL d 1 112.739 88.264 56.364 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 113.641 87.588 59.049 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 113.096 88.356 58.793 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 111.057 87.235 57.801 0.00 0.00 0.085 N ATOM 32 H UNL d 1 111.135 86.892 58.759 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 110.942 88.248 57.904 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 112.892 89.499 50.561 0.00 0.00 0.184 C ATOM 35 O UNL d 1 113.749 90.385 50.689 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 111.734 89.716 49.596 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 111.021 90.901 49.945 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 111.358 91.606 49.357 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 114.281 87.689 51.375 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 114.344 86.875 51.908 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 112.505 84.870 55.168 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 113.442 85.141 55.149 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 110.849 84.791 49.906 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 111.306 85.537 49.451 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 110.666 79.673 55.722 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 109.776 79.862 56.801 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11