REMARK VINA RESULT: -3.7 2.467 7.541 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 0.432 -8.560 5.793 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 3.958 -5.244 3.875 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -1.914 -4.017 6.374 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -1.042 -1.641 6.069 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -2.201 -2.616 5.831 0.00 0.00 0.083 C ATOM 6 C UNL d 1 0.131 -2.114 5.208 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -0.480 -4.461 6.063 0.00 0.00 0.014 A ATOM 8 C UNL d 1 0.441 -3.590 5.431 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -0.107 -5.812 6.249 0.00 0.00 0.090 A ATOM 10 C UNL d 1 1.650 -4.110 4.938 0.00 0.00 0.088 A ATOM 11 C UNL d 1 1.091 -6.339 5.715 0.00 0.00 0.066 A ATOM 12 C UNL d 1 1.973 -5.474 5.072 0.00 0.00 0.066 A ATOM 13 C UNL d 1 1.382 -7.796 5.694 0.00 0.00 0.200 C ATOM 14 C UNL d 1 3.225 -5.994 4.511 0.00 0.00 0.197 C ATOM 15 C UNL d 1 2.741 -8.318 5.376 0.00 0.00 0.062 A ATOM 16 C UNL d 1 3.611 -7.406 4.744 0.00 0.00 0.032 A ATOM 17 C UNL d 1 3.197 -9.643 5.565 0.00 0.00 0.083 A ATOM 18 C UNL d 1 4.883 -7.791 4.281 0.00 0.00 0.017 A ATOM 19 C UNL d 1 4.481 -9.996 5.090 0.00 0.00 0.038 A ATOM 20 C UNL d 1 5.316 -9.093 4.448 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -2.236 -4.184 7.779 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -3.619 -4.514 8.057 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -3.818 -4.999 9.394 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -3.415 -6.352 9.642 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -4.105 -7.328 8.669 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -3.753 -6.681 11.097 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -3.780 -6.880 7.231 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -4.275 -5.447 7.032 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -5.532 -7.344 8.849 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -5.714 -7.179 9.794 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -4.400 -7.743 6.219 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -3.920 -8.644 6.207 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -5.350 -7.968 6.531 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 -1.521 -0.242 5.638 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -1.665 0.681 6.452 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -1.855 -0.001 4.172 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -2.998 0.845 4.064 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -3.400 0.654 3.192 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 -0.635 -1.599 7.437 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -1.389 -1.783 8.028 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -0.940 -6.619 6.981 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -1.549 -6.055 7.494 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 2.474 -3.233 4.275 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 1.921 -2.526 3.867 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 2.656 -10.751 6.149 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 3.190 -11.391 7.288 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11