REMARK  Name = BDB047071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.108  -1.506  -0.045  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.117  -2.855  -0.333  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.037  -3.698  -0.535  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        1.415  -3.272  -0.402  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        2.249  -2.285  -0.178  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.455  -1.170   0.045  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.495   0.737   0.407  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -2.826   0.721  -0.818  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.641  -0.009  -0.962  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.114  -0.728   0.116  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.781  -0.707   1.343  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -2.966   0.020   1.483  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.205   2.194  -0.366  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -4.657   1.403   0.680  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   6  15
ATOM     15  C   LIG    1        2.031   0.140   0.338  0.00  0.00    +0.092 A 
ATOM     16  N   LIG    1        1.217   1.222   0.307  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        1.752   2.429   0.588  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        3.087   2.623   0.875  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        3.918   1.505   0.872  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        3.388   0.241   0.621  0.00  0.00    +0.045 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.352   1.699   1.176  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1        5.750   2.542   1.961  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        6.172   0.896   0.467  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        5.743   0.370  -0.235  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   6  15
TORSDOF 5