REMARK VINA RESULT: -6.2 1.190 1.298 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 -0.037 4.851 13.196 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 4.726 5.517 11.202 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 1.114 0.124 11.519 0.00 0.00 0.164 C ATOM 4 C UNL d 1 3.058 -0.711 10.097 0.00 0.00 0.127 C ATOM 5 C UNL d 1 2.163 -0.970 11.315 0.00 0.00 0.083 C ATOM 6 C UNL d 1 3.902 0.525 10.411 0.00 0.00 0.088 C ATOM 7 C UNL d 1 1.705 1.522 11.302 0.00 0.00 0.014 A ATOM 8 C UNL d 1 3.044 1.698 10.873 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 0.971 2.665 11.695 0.00 0.00 0.090 A ATOM 10 C UNL d 1 3.621 2.978 10.931 0.00 0.00 0.088 A ATOM 11 C UNL d 1 1.568 3.942 11.792 0.00 0.00 0.066 A ATOM 12 C UNL d 1 2.893 4.092 11.391 0.00 0.00 0.066 A ATOM 13 C UNL d 1 0.882 5.097 12.427 0.00 0.00 0.200 C ATOM 14 C UNL d 1 3.537 5.409 11.478 0.00 0.00 0.197 C ATOM 15 C UNL d 1 1.401 6.487 12.291 0.00 0.00 0.062 A ATOM 16 C UNL d 1 2.741 6.598 11.863 0.00 0.00 0.032 A ATOM 17 C UNL d 1 0.716 7.677 12.630 0.00 0.00 0.083 A ATOM 18 C UNL d 1 3.400 7.839 11.800 0.00 0.00 0.017 A ATOM 19 C UNL d 1 1.408 8.907 12.553 0.00 0.00 0.038 A ATOM 20 C UNL d 1 2.734 8.997 12.154 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -0.101 -0.071 10.750 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -0.613 -1.426 10.744 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -0.330 -2.123 9.520 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -1.145 -1.779 8.394 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -2.643 -1.956 8.712 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -0.715 -2.659 7.219 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -2.974 -1.101 9.951 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -2.095 -1.554 11.117 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -2.973 -3.330 8.982 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -2.944 -3.458 9.949 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -4.383 -1.206 10.346 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -4.903 -1.685 9.609 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -4.443 -1.840 11.149 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 3.944 -1.957 9.904 0.00 0.00 0.184 C ATOM 35 O UNL d 1 4.346 -2.629 10.863 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 4.358 -2.350 8.492 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 3.923 -3.678 8.207 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 3.439 -3.984 9.000 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 2.306 -0.478 8.906 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 2.221 -1.297 8.384 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -0.362 2.511 11.980 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.572 3.027 12.779 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 4.941 3.077 10.565 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 5.052 3.871 9.991 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -0.557 7.946 13.039 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -1.121 7.482 14.247 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11