REMARK  Name = BDB002328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.150   1.056  -1.235  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.265   2.078  -0.963  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.656   2.591  -2.000  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        0.967   4.012  -1.521  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.968   3.855  -0.006  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.202   2.911   0.234  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -1.059   0.429  -2.301  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.948   1.736  -2.151  0.00  0.00    +0.238 C 
ATOM      9  N   LIG    1        1.695   0.387  -2.260  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        0.714   0.134  -2.391  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        3.053   2.265  -2.260  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.615  -0.679  -2.250  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        2.073  -1.975  -2.235  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        2.924  -3.098  -2.168  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.301  -2.891  -2.145  0.00  0.00    +0.047 A 
ATOM     16  N   LIG    1        4.894  -4.134  -2.088  0.00  0.00    -0.361 N 
ATOM     17  H   LIG    1        5.890  -4.288  -2.050  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1        3.938  -5.115  -2.030  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1        4.870  -1.610  -2.174  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        2.708  -4.503  -2.080  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        4.002  -0.509  -2.213  0.00  0.00    +0.025 A 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -2.183   0.598  -0.172  0.00  0.00    +0.162 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.013  -1.067   1.645  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -1.465   0.004   0.954  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1       -0.454   0.037   0.928  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1       -3.176  -1.429   1.509  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -1.004  -1.751   2.598  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -1.539  -3.068   3.159  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -1.538  -0.492   4.648  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -0.538  -0.795   3.631  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -0.270   0.074   3.179  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -3.233   1.684   0.176  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -4.617   1.268  -0.340  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -3.340   2.037   1.661  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7