REMARK VINA RESULT: -6.5 1.977 3.170 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_2 and C_12 REMARK 2 A between atoms: O_2 and C_15 REMARK I between atoms: N_4 and C_15 ROOT ATOM 1 O UNL d 1 33.877 76.541 105.781 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 34.898 76.391 106.808 0.00 0.00 0.065 C ATOM 3 C UNL d 1 35.242 74.892 106.970 0.00 0.00 0.079 C ATOM 4 C UNL d 1 34.168 74.284 106.153 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.444 75.271 105.502 0.00 0.00 0.110 A ATOM 6 C UNL d 1 34.336 76.979 108.106 0.00 0.00 0.046 C ATOM 7 C UNL d 1 36.122 77.192 106.357 0.00 0.00 0.046 C ATOM 8 C UNL d 1 33.878 72.943 105.964 0.00 0.00 0.010 A ATOM 9 C UNL d 1 32.402 74.954 104.648 0.00 0.00 0.114 A ATOM 10 C UNL d 1 32.839 72.607 105.093 0.00 0.00 0.003 A ATOM 11 C UNL d 1 32.109 73.606 104.427 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 31.745 76.015 103.991 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 30.469 76.421 104.362 0.00 0.00 0.365 C ATOM 14 O UNL d 1 29.908 76.173 105.422 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 29.829 77.164 103.407 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 30.356 77.594 102.137 0.00 0.00 0.151 C ATOM 17 H UNL d 1 28.895 77.446 103.674 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2