REMARK VINA RESULT: -6.8 2.964 5.171 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 33.062 79.546 100.008 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 30.750 79.732 99.541 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 32.408 76.417 102.741 0.00 0.00 0.103 C ATOM 4 C UNL d 1 31.531 78.040 101.084 0.00 0.00 0.042 C ATOM 5 C UNL d 1 31.360 76.917 101.955 0.00 0.00 0.057 C ATOM 6 C UNL d 1 33.614 77.130 102.699 0.00 0.00 0.103 C ATOM 7 C UNL d 1 32.803 78.577 100.894 0.00 0.00 0.075 C ATOM 8 C UNL d 1 33.808 78.135 101.729 0.00 0.00 0.072 C ATOM 9 C UNL d 1 30.508 78.755 100.436 0.00 0.00 0.142 C ATOM 10 C UNL d 1 32.023 80.053 99.335 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 32.249 75.321 103.574 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 31.056 75.333 104.381 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 31.137 76.178 105.669 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 32.471 76.679 106.261 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 33.013 76.068 107.496 0.00 0.00 0.092 N ATOM 16 C UNL d 1 34.080 76.874 108.127 0.00 0.00 0.298 C ATOM 17 C UNL d 1 35.336 77.014 107.252 0.00 0.00 0.198 C ATOM 18 O UNL d 1 35.895 75.735 106.925 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 34.926 74.867 106.322 0.00 0.00 0.198 C ATOM 20 C UNL d 1 33.653 74.748 107.187 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 34.709 76.996 103.511 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 35.543 78.131 103.670 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 29.179 78.569 100.863 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 28.509 79.057 100.294 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 28.748 78.156 102.132 0.00 0.00 0.035 A ATOM 26 C UNL d 1 28.045 76.955 102.323 0.00 0.00 0.056 A ATOM 27 C UNL d 1 27.606 76.574 103.593 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 26.763 75.085 103.786 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 27.846 77.403 104.678 0.00 0.00 0.138 A ATOM 30 F UNL d 1 27.445 77.055 105.910 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 28.504 78.617 104.507 0.00 0.00 0.046 A ATOM 32 C UNL d 1 28.944 78.997 103.237 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8