REMARK VINA RESULT: -3.5 2.332 3.984 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 -5.021 -17.147 3.402 0.00 0.00 0.104 N ATOM 2 H UNL d 1 -4.437 -16.870 2.598 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 -4.371 -16.535 4.596 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 -2.783 -15.830 4.135 0.00 0.00 0.264 P ATOM 5 O UNL d 1 -1.679 -15.963 5.133 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 -2.477 -16.502 2.715 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 -3.078 -16.184 2.014 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 -3.102 -14.313 3.714 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 -2.816 -13.663 4.384 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 -6.347 -16.463 3.265 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 -6.289 -15.284 2.304 0.00 0.00 0.168 C ATOM 12 O UNL d 1 -7.207 -14.502 2.118 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 -5.115 -15.217 1.634 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 -4.742 -16.122 1.572 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7