REMARK  Name = BDB030238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.397  -0.417   1.081  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1        2.596  -1.512   0.918  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1        1.359  -1.029   0.522  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1        1.415   0.354   0.453  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1        2.642   0.684   0.787  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        0.189  -1.875   0.225  0.00  0.00    +0.266 C 
ATOM      7  N   LIG    1       -0.997  -1.272  -0.165  0.00  0.00    -0.296 N 
ATOM      8  C   LIG    1       -2.140  -2.099  -0.519  0.00  0.00    +0.112 C 
ATOM      9  C   LIG    1       -3.219  -1.127  -0.863  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -3.771  -0.167   0.170  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -2.662   0.251  -0.773  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1       -1.224   0.154  -0.369  0.00  0.00    +0.112 C 
ATOM     13  O   LIG    1        0.269  -3.102   0.322  0.00  0.00    -0.268 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -5.120   0.388   0.005  0.00  0.00    +0.065 C 
ATOM     15  C   LIG    1       -5.389   1.834   0.139  0.00  0.00    +0.104 C 
ATOM     16  C   LIG    1       -6.902   1.757   0.253  0.00  0.00    +0.138 C 
ATOM     17  C   LIG    1       -7.378   1.748   1.707  0.00  0.00    +0.058 C 
ATOM     18  C   LIG    1       -7.587   2.873  -0.530  0.00  0.00    +0.058 C 
ATOM     19  O   LIG    1       -7.256   0.496  -0.351  0.00  0.00    -0.387 OA
ATOM     20  N   LIG    1       -6.130  -0.362  -0.275  0.00  0.00    -0.093 NA
ENDBRANCH  10  14
ENDBRANCH   3   6
BRANCH   1  22
ATOM     21  C   LIG    1        5.165  -1.461   2.527  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1        4.797  -0.382   1.502  0.00  0.00    +0.115 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.719  -0.392   0.291  0.00  0.00    -0.025 A 
ATOM     24  C   LIG    1        6.493   0.742  -0.008  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        7.344   0.754  -1.117  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        7.434  -0.366  -1.947  0.00  0.00    +0.052 A 
ATOM     27  C   LIG    1        6.668  -1.499  -1.661  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        5.818  -1.512  -0.551  0.00  0.00    +0.007 A 
BRANCH  26  29
ATOM     29  C   LIG    1        8.306  -0.353  -3.084  0.00  0.00    +0.099 C 
ATOM     30  N   LIG    1        9.016  -0.338  -4.002  0.00  0.00    -0.191 NA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5