REMARK Name = BDB002560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.452 1.255 0.751 0.00 0.00 -0.409 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.568 0.632 1.332 0.00 0.00 +0.159 A ATOM 3 C LIG 1 -2.516 0.029 0.499 0.00 0.00 +0.113 A ATOM 4 C LIG 1 -3.628 -0.566 1.132 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -4.591 -1.189 0.326 0.00 0.00 +0.011 A ATOM 6 C LIG 1 -4.436 -1.205 -1.054 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -3.321 -0.590 -1.588 0.00 0.00 +0.111 A ATOM 8 C LIG 1 -3.761 -0.526 2.534 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -2.800 0.107 3.325 0.00 0.00 +0.004 A ATOM 10 N LIG 1 -2.375 0.025 -0.848 0.00 0.00 -0.251 NA ATOM 11 C LIG 1 -1.697 0.696 2.722 0.00 0.00 +0.048 A ENDBRANCH 1 2 BRANCH 1 14 ATOM 12 C LIG 1 1.300 2.269 -0.969 0.00 0.00 +0.142 C ATOM 13 N LIG 1 1.562 0.958 -0.378 0.00 0.00 -0.240 N ATOM 14 C LIG 1 0.583 0.366 0.445 0.00 0.00 +0.412 C ATOM 15 O LIG 1 0.606 -0.785 0.876 0.00 0.00 -0.225 OA BRANCH 13 16 ATOM 16 C LIG 1 2.755 0.259 -0.790 0.00 0.00 +0.039 A ATOM 17 C LIG 1 3.266 -0.834 -0.074 0.00 0.00 +0.023 A ATOM 18 C LIG 1 4.434 -1.494 -0.477 0.00 0.00 +0.002 A ATOM 19 C LIG 1 5.124 -1.071 -1.607 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.646 0.013 -2.331 0.00 0.00 +0.002 A ATOM 21 C LIG 1 3.478 0.670 -1.925 0.00 0.00 +0.023 A ENDBRANCH 13 16 ENDBRANCH 1 14 TORSDOF 3