REMARK  Name = BDB003347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.596  -1.045  -1.470  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        0.553  -0.358  -0.985  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        1.202   0.650  -1.721  0.00  0.00    +0.142 A 
ATOM      4  C   LIG    1        2.368   1.259  -1.247  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        2.905   0.900  -0.005  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        2.249  -0.082   0.748  0.00  0.00    +0.010 A 
ATOM      7  O   LIG    1        0.741   1.113  -2.933  0.00  0.00    -0.489 OA
ATOM      8  C   LIG    1       -0.641   0.790  -3.123  0.00  0.00    +0.248 C 
ATOM      9  C   LIG    1        1.092  -0.703   0.264  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -0.887  -0.693  -2.874  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -3.284  -0.181   0.780  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1       -2.129  -0.099   0.074  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1       -1.790  -1.151  -0.705  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1       -2.586  -2.328  -0.787  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.788  -2.363  -0.043  0.00  0.00    -0.012 A 
ATOM     16  C   LIG    1       -4.614  -3.498  -0.097  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -4.260  -4.604  -0.869  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.074  -4.594  -1.591  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.245  -3.471  -1.549  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.138  -1.270   0.749  0.00  0.00    +0.041 A 
BRANCH  11  24
ATOM     21  C   LIG    1       -2.732   3.171   2.429  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1       -2.675   2.017   1.575  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -1.829   1.808   1.049  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -3.610   1.004   1.636  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1       -4.621   1.037   2.329  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1        4.108   1.551   0.487  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.016   0.996   1.366  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        5.995   1.930   1.550  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        7.166   1.808   2.383  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        5.795   3.061   0.853  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        4.650   2.828   0.205  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
TORSDOF 3