REMARK VINA RESULT: 4.9 1.630 2.940 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 5.046 4.468 4.054 0.00 0.00 0.017 A ATOM 2 C UNL d 1 7.486 3.315 2.909 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 7.031 2.881 4.185 0.00 0.00 0.025 A ATOM 4 C UNL d 1 8.695 2.774 2.323 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 5.484 4.822 2.765 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 5.878 3.544 4.745 0.00 0.00 0.089 A ATOM 7 C UNL d 1 6.690 4.287 2.259 0.00 0.00 0.020 A ATOM 8 C UNL d 1 7.755 1.836 4.835 0.00 0.00 0.051 A ATOM 9 C UNL d 1 9.392 1.791 3.043 0.00 0.00 0.107 A ATOM 10 C UNL d 1 8.923 1.316 4.265 0.00 0.00 0.113 A ATOM 11 C UNL d 1 4.814 5.814 1.840 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 3.789 5.027 4.667 0.00 0.00 0.017 A ATOM 13 C UNL d 1 3.800 5.892 5.776 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 2.587 6.401 6.289 0.00 0.00 0.020 A ATOM 15 C UNL d 1 5.029 6.411 6.481 0.00 0.00 0.049 C ATOM 16 C UNL d 1 1.299 6.045 5.834 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 1.250 5.116 4.756 0.00 0.00 0.025 A ATOM 18 C UNL d 1 0.089 6.582 6.417 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 2.500 4.714 4.158 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -0.038 4.665 4.327 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -1.199 5.187 4.887 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -1.139 6.143 5.899 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 2.399 4.020 2.966 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 3.243 4.053 2.485 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -0.182 3.539 3.366 0.00 0.00 0.273 C ATOM 26 O UNL d 1 0.295 2.424 3.537 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -2.444 4.749 4.512 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -3.051 5.490 4.712 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -2.375 6.551 6.336 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -2.428 6.509 7.301 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 0.142 7.571 7.591 0.00 0.00 0.014 C ATOM 32 C UNL d 1 0.586 6.937 8.915 0.00 0.00 0.015 C ATOM 33 C UNL d 1 0.909 8.848 7.236 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 5.618 3.273 6.077 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 5.085 3.985 6.469 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 7.236 1.168 6.052 0.00 0.00 0.273 C ATOM 37 O UNL d 1 6.141 0.625 6.130 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 9.183 3.229 0.941 0.00 0.00 0.014 C ATOM 39 C UNL d 1 8.654 2.371 -0.214 0.00 0.00 0.015 C ATOM 40 C UNL d 1 8.986 4.733 0.725 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 9.616 0.286 4.847 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 8.935 -0.275 5.267 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 10.545 1.168 2.625 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 11.257 1.809 2.500 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11