REMARK VINA RESULT: -4.4 0.000 0.000 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 0.604 15.461 -19.476 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 2.637 17.107 -14.975 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -3.578 16.005 -16.526 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -3.805 16.469 -14.030 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -4.317 16.787 -15.439 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -2.376 17.008 -13.935 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -2.067 15.963 -16.264 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -1.507 16.521 -15.088 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -1.190 15.516 -17.279 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -0.114 16.688 -15.005 0.00 0.00 0.088 A ATOM 11 C UNL d 1 0.206 15.726 -17.208 0.00 0.00 0.066 A ATOM 12 C UNL d 1 0.738 16.300 -16.057 0.00 0.00 0.066 A ATOM 13 C UNL d 1 1.109 15.481 -18.363 0.00 0.00 0.200 C ATOM 14 C UNL d 1 2.184 16.526 -15.955 0.00 0.00 0.197 C ATOM 15 C UNL d 1 2.590 15.449 -18.205 0.00 0.00 0.062 A ATOM 16 C UNL d 1 3.088 16.022 -17.016 0.00 0.00 0.032 A ATOM 17 C UNL d 1 3.527 14.988 -19.159 0.00 0.00 0.083 A ATOM 18 C UNL d 1 4.468 16.168 -16.784 0.00 0.00 0.017 A ATOM 19 C UNL d 1 4.906 15.147 -18.892 0.00 0.00 0.038 A ATOM 20 C UNL d 1 5.380 15.736 -17.728 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -4.117 14.680 -16.772 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -5.489 14.654 -17.239 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -5.788 13.486 -18.020 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -5.298 13.483 -19.366 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -5.790 14.720 -20.144 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -5.762 12.185 -20.029 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -5.352 15.977 -19.369 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -5.945 15.928 -17.961 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -7.222 14.726 -20.286 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -7.438 15.233 -21.091 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -5.781 17.219 -20.024 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -6.103 17.005 -20.969 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -6.620 17.559 -19.543 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 -4.737 17.181 -13.030 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -5.852 17.604 -13.362 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -4.254 17.394 -11.602 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -4.041 16.135 -10.965 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -4.177 16.285 -10.008 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 -3.799 15.068 -13.754 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -4.379 14.591 -14.376 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -1.727 14.854 -18.353 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -2.268 15.481 -18.868 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 0.367 17.296 -13.870 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 0.216 16.696 -13.102 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 3.411 14.368 -20.368 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 2.790 13.116 -20.565 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11