REMARK VINA RESULT: -2.1 2.313 9.229 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_21 REMARK 2 A between atoms: O_2 and C_22 REMARK 3 A between atoms: O_3 and C_27 REMARK 4 A between atoms: O_4 and C_28 REMARK 5 A between atoms: O_5 and C_29 REMARK 6 A between atoms: O_6 and C_30 REMARK 7 A between atoms: C_9 and C_10 REMARK 8 A between atoms: C_15 and C_19 REMARK 9 A between atoms: C_16 and C_20 REMARK 10 A between atoms: C_25 and C_37 REMARK 11 A between atoms: C_26 and C_38 ROOT ATOM 1 C UNL d 1 -6.295 -2.950 5.383 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -3.909 -2.168 3.869 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -5.152 -2.328 3.196 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -2.711 -1.795 3.147 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -5.067 -2.713 6.028 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -6.274 -2.802 3.969 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -3.922 -2.385 5.267 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -5.202 -2.030 1.800 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -2.817 -1.574 1.764 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -4.041 -1.670 1.106 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -4.803 -2.845 7.512 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -7.544 -3.336 6.131 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -8.220 -2.455 6.994 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -9.401 -2.870 7.647 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -7.838 -1.021 7.271 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -9.949 -4.169 7.585 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -9.249 -5.107 6.774 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -11.151 -4.543 8.299 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -8.125 -4.627 6.009 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -9.726 -6.455 6.758 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -10.885 -6.811 7.442 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -11.596 -5.869 8.181 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -7.636 -5.495 5.050 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -8.084 -5.345 4.201 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -8.940 -7.546 6.122 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -8.892 -8.695 6.544 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -11.345 -8.103 7.464 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -10.776 -8.570 8.107 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -12.714 -6.386 8.790 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -13.019 -7.179 8.329 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -11.896 -3.536 9.187 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -12.274 -2.236 8.465 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -13.064 -4.182 9.938 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -7.388 -3.181 3.239 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -8.111 -3.439 3.835 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -6.486 -1.952 1.066 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -6.805 -2.698 0.148 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -1.369 -1.607 3.870 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -1.278 -0.304 4.673 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -0.968 -2.850 4.672 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -4.066 -1.341 -0.225 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -3.878 -2.176 -0.697 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -1.784 -1.204 0.936 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -1.807 -1.705 0.111 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11