REMARK VINA RESULT: -1.6 3.953 7.264 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 1 111.804 85.695 56.006 0.00 0.00 0.017 A ATOM 2 C UNL d 1 112.427 87.933 57.795 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 113.437 87.408 56.941 0.00 0.00 0.025 A ATOM 4 C UNL d 1 112.708 89.029 58.699 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 110.811 86.285 56.810 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 113.106 86.249 56.148 0.00 0.00 0.089 A ATOM 7 C UNL d 1 111.152 87.330 57.698 0.00 0.00 0.020 A ATOM 8 C UNL d 1 114.714 88.048 56.942 0.00 0.00 0.051 A ATOM 9 C UNL d 1 114.002 89.574 58.691 0.00 0.00 0.107 A ATOM 10 C UNL d 1 114.981 89.106 57.818 0.00 0.00 0.113 A ATOM 11 C UNL d 1 109.361 85.858 56.887 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 111.516 84.556 55.064 0.00 0.00 0.017 A ATOM 13 C UNL d 1 111.753 84.634 53.679 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 111.484 83.521 52.852 0.00 0.00 0.020 A ATOM 15 C UNL d 1 112.346 85.813 52.947 0.00 0.00 0.049 C ATOM 16 C UNL d 1 110.895 82.313 53.281 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 110.578 82.228 54.667 0.00 0.00 0.025 A ATOM 18 C UNL d 1 110.620 81.216 52.380 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 110.984 83.320 55.518 0.00 0.00 0.089 A ATOM 20 C UNL d 1 109.899 81.054 55.121 0.00 0.00 0.051 A ATOM 21 C UNL d 1 109.641 79.998 54.252 0.00 0.00 0.113 A ATOM 22 C UNL d 1 110.012 80.068 52.912 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 110.889 83.089 56.878 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 110.222 83.674 57.273 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 109.335 80.970 56.494 0.00 0.00 0.273 C ATOM 26 O UNL d 1 109.774 80.240 57.375 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 108.966 78.875 54.658 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 109.567 78.423 55.283 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 109.685 78.941 52.197 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 110.055 78.982 51.305 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 110.946 81.314 50.882 0.00 0.00 0.014 C ATOM 32 C UNL d 1 110.147 82.396 50.145 0.00 0.00 0.015 C ATOM 33 C UNL d 1 112.454 81.382 50.623 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 114.173 85.622 55.528 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 115.001 86.091 55.723 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 115.751 87.718 55.936 0.00 0.00 0.273 C ATOM 37 O UNL d 1 115.919 88.329 54.888 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 111.618 89.609 59.612 0.00 0.00 0.014 C ATOM 39 C UNL d 1 111.349 91.100 59.382 0.00 0.00 0.015 C ATOM 40 C UNL d 1 110.349 88.751 59.611 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 116.184 89.764 57.813 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 116.778 89.213 58.360 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 114.429 90.621 59.474 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 113.692 91.002 59.969 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11