REMARK  Name = BDB029370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.245  -0.667  -0.087  0.00  0.00    +0.148 A 
ATOM      2  N   LIG    1        2.397  -1.956  -0.485  0.00  0.00    -0.248 NA
ATOM      3  C   LIG    1        1.275  -2.692  -0.604  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        0.003  -2.205  -0.346  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.150  -0.875   0.064  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        1.007  -0.097   0.194  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.481  -0.314   0.350  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -2.516  -0.402  -0.599  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -3.742   0.142  -0.277  0.00  0.00    +0.038 A 
ATOM     10  N   LIG    1       -4.886   0.170  -1.058  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -4.980  -0.210  -1.988  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.932   0.806  -0.398  0.00  0.00    +0.222 C 
ATOM     13  C   LIG    1       -5.411   1.248   0.975  0.00  0.00    +0.133 C 
ATOM     14  O   LIG    1       -7.055   0.976  -0.841  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -3.991   0.768   0.941  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1       -2.998   0.870   1.892  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -1.743   0.326   1.590  0.00  0.00    +0.009 A 
ENDBRANCH   5   7
BRANCH   1  18
ATOM     18  C   LIG    1        3.469   0.180   0.057  0.00  0.00    +0.358 C 
ATOM     19  O   LIG    1        3.442   1.345   0.428  0.00  0.00    -0.243 OA
BRANCH  18  20
ATOM     20  O   LIG    1        4.581  -0.522  -0.280  0.00  0.00    -0.460 OA
BRANCH  20  22
ATOM     21  C   LIG    1        6.104   0.937  -1.467  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1        5.825   0.182  -0.180  0.00  0.00    +0.229 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4