REMARK VINA RESULT: -2.9 2.269 8.063 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 -9.259 -4.327 4.574 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -6.845 -3.902 9.167 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -4.740 -2.255 3.243 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -2.852 -1.317 4.676 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -3.228 -2.169 3.459 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -3.338 -2.064 5.920 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -5.489 -2.457 4.566 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -4.806 -2.459 5.807 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -6.856 -2.818 4.551 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -5.481 -2.897 6.961 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -7.517 -3.298 5.705 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -6.823 -3.319 6.912 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -8.873 -3.902 5.654 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -7.487 -3.808 8.126 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -9.663 -4.159 6.891 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -8.928 -4.152 8.095 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -11.036 -4.491 6.958 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -9.516 -4.493 9.327 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -11.596 -4.825 8.212 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -10.853 -4.838 9.385 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -5.291 -1.153 2.477 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -4.957 -1.159 1.067 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -5.996 -0.601 0.247 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -7.134 -1.438 0.011 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -6.717 -2.792 -0.598 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -8.089 -0.681 -0.914 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -5.699 -3.450 0.353 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -4.499 -2.517 0.522 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -6.119 -2.632 -1.896 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -5.343 -3.221 -1.941 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -5.227 -4.749 -0.141 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -5.999 -5.232 -0.603 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -4.551 -4.578 -0.892 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 -1.318 -1.170 4.679 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -0.570 -2.120 4.945 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -0.712 0.193 4.375 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -0.887 1.066 5.490 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -0.004 1.168 5.899 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 -3.450 -0.021 4.642 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -4.121 0.069 5.344 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -7.548 -2.685 3.375 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -8.104 -1.886 3.428 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -4.749 -2.941 8.123 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -3.791 -2.970 7.893 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -12.033 -4.564 6.030 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -12.061 -5.488 4.963 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11