REMARK  Name = BDB056750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.398   2.066  -0.562  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.720   1.087  -1.303  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.320   1.154  -1.311  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.384   2.146  -0.636  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.734   1.984  -0.796  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.889   0.903  -1.538  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.314   3.133   0.077  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.660   0.390  -1.900  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.439  -0.757  -2.748  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -1.713   3.086   0.100  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.776   2.112  -0.509  0.00  0.00    -0.456 OA
BRANCH  11  16
ATOM     12  C   LIG    1       -6.701  -2.607   0.673  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -5.895  -1.382   0.352  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -4.791  -1.034   1.142  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -4.062   0.125   0.867  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -4.431   0.940  -0.205  0.00  0.00    +0.128 A 
ATOM     17  C   LIG    1       -5.550   0.622  -0.973  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -6.278  -0.537  -0.697  0.00  0.00    +0.007 A 
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        3.192   0.301  -1.972  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        4.220   0.615  -1.026  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.338  -0.141   0.106  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        5.394   0.240   0.940  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        5.644  -0.456   2.128  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        4.814  -1.514   2.505  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        3.754  -1.889   1.681  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.518  -1.206   0.483  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        6.759  -0.082   3.030  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        6.685  -0.158   4.244  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.879   0.290   2.375  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        7.851   0.162   1.409  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7