REMARK VINA RESULT: 7.5 2.949 4.014 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 3.152 -2.632 10.180 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 4.842 -3.705 8.919 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 4.901 -3.823 13.814 0.00 0.00 0.103 C ATOM 4 C UNL d 1 4.943 -3.738 11.336 0.00 0.00 0.042 C ATOM 5 C UNL d 1 5.553 -4.050 12.593 0.00 0.00 0.057 C ATOM 6 C UNL d 1 3.581 -3.358 13.739 0.00 0.00 0.103 C ATOM 7 C UNL d 1 3.725 -3.063 11.310 0.00 0.00 0.075 C ATOM 8 C UNL d 1 3.055 -2.919 12.507 0.00 0.00 0.072 C ATOM 9 C UNL d 1 5.405 -4.130 10.067 0.00 0.00 0.142 C ATOM 10 C UNL d 1 3.763 -2.938 9.029 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 5.496 -4.110 15.032 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 4.950 -5.247 15.728 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 4.486 -6.412 14.831 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 4.835 -7.887 15.123 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 4.426 -8.508 16.403 0.00 0.00 0.092 N ATOM 16 C UNL d 1 5.492 -8.489 17.428 0.00 0.00 0.298 C ATOM 17 C UNL d 1 6.726 -9.319 17.040 0.00 0.00 0.198 C ATOM 18 O UNL d 1 6.384 -10.689 16.797 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 5.337 -10.815 15.825 0.00 0.00 0.198 C ATOM 20 C UNL d 1 4.108 -9.960 16.199 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 2.657 -3.261 14.745 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 2.873 -2.268 15.734 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 6.382 -5.141 9.985 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 6.045 -6.040 10.283 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 7.773 -4.972 9.937 0.00 0.00 0.035 A ATOM 26 C UNL d 1 8.435 -4.029 10.742 0.00 0.00 0.056 A ATOM 27 C UNL d 1 9.819 -3.862 10.660 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 10.594 -2.708 11.677 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 10.549 -4.620 9.757 0.00 0.00 0.138 A ATOM 30 F UNL d 1 11.881 -4.487 9.668 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 9.910 -5.531 8.921 0.00 0.00 0.046 A ATOM 32 C UNL d 1 8.526 -5.699 9.004 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8