REMARK VINA RESULT: -7.9 2.165 3.036 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 -7.015 -1.917 5.131 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -8.145 -1.415 3.114 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -5.151 -5.277 3.424 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -6.629 -3.299 3.205 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -5.909 -4.398 2.638 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -5.206 -5.080 4.810 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -6.471 -2.996 4.556 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -5.794 -3.911 5.335 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -7.589 -2.506 2.551 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -7.798 -1.145 4.368 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -4.441 -6.334 2.875 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -4.935 -6.812 1.609 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -3.897 -6.865 0.470 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -2.431 -7.294 0.691 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -1.436 -6.315 1.184 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -0.159 -6.356 0.440 0.00 0.00 0.298 C ATOM 17 C UNL d 1 0.591 -7.688 0.589 0.00 0.00 0.198 C ATOM 18 O UNL d 1 0.881 -7.979 1.963 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -0.300 -7.943 2.777 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -1.068 -6.617 2.606 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 -4.748 -5.903 5.804 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -3.643 -5.451 6.567 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -8.124 -2.961 1.331 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -8.688 -3.788 1.430 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -7.661 -2.664 0.041 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -6.947 -3.600 -0.727 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -6.476 -3.274 -2.000 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -5.621 -4.456 -2.915 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -6.696 -2.002 -2.508 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -6.264 -1.668 -3.733 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -7.364 -1.046 -1.749 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -7.837 -1.373 -0.477 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8