REMARK VINA RESULT: -6.3 1.797 3.013 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 14.119 4.143 -10.772 0.00 0.00 0.017 A ATOM 2 C UNL d 1 13.204 5.779 -13.026 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 12.645 5.982 -11.733 0.00 0.00 0.025 A ATOM 4 C UNL d 1 12.764 6.563 -14.161 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 14.701 4.019 -12.046 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 13.062 5.091 -10.677 0.00 0.00 0.089 A ATOM 7 C UNL d 1 14.206 4.786 -13.125 0.00 0.00 0.020 A ATOM 8 C UNL d 1 11.697 7.037 -11.570 0.00 0.00 0.051 A ATOM 9 C UNL d 1 11.783 7.545 -13.943 0.00 0.00 0.107 A ATOM 10 C UNL d 1 11.273 7.791 -12.671 0.00 0.00 0.113 A ATOM 11 C UNL d 1 15.804 3.057 -12.429 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 14.575 3.332 -9.587 0.00 0.00 0.017 A ATOM 13 C UNL d 1 15.499 3.814 -8.642 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 15.868 3.013 -7.540 0.00 0.00 0.020 A ATOM 15 C UNL d 1 16.130 5.185 -8.642 0.00 0.00 0.049 C ATOM 16 C UNL d 1 15.449 1.682 -7.327 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 14.567 1.138 -8.304 0.00 0.00 0.025 A ATOM 18 C UNL d 1 15.882 0.900 -6.190 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 14.095 2.017 -9.347 0.00 0.00 0.089 A ATOM 20 C UNL d 1 14.192 -0.235 -8.168 0.00 0.00 0.051 A ATOM 21 C UNL d 1 14.606 -0.983 -7.070 0.00 0.00 0.113 A ATOM 22 C UNL d 1 15.419 -0.421 -6.088 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 13.054 1.530 -10.116 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 12.551 0.864 -9.619 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 13.459 -0.947 -9.248 0.00 0.00 0.273 C ATOM 26 O UNL d 1 12.359 -1.467 -9.107 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 14.283 -2.309 -6.933 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 15.042 -2.800 -7.304 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 15.732 -1.294 -5.075 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 16.621 -1.654 -5.196 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 16.847 1.481 -5.145 0.00 0.00 0.014 C ATOM 32 C UNL d 1 16.206 2.528 -4.226 0.00 0.00 0.015 C ATOM 33 C UNL d 1 17.607 0.386 -4.390 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 12.322 5.155 -9.510 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 12.821 5.618 -8.817 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 11.231 7.466 -10.231 0.00 0.00 0.273 C ATOM 37 O UNL d 1 11.163 8.632 -9.861 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 13.373 6.358 -15.556 0.00 0.00 0.014 C ATOM 39 C UNL d 1 12.338 6.029 -16.638 0.00 0.00 0.015 C ATOM 40 C UNL d 1 14.323 7.497 -15.942 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 10.394 8.834 -12.538 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 10.721 9.523 -13.149 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 11.267 8.380 -14.906 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 10.760 9.097 -14.504 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11