REMARK  Name = BDB002995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.593  -1.365   0.081  0.00  0.00    +0.085 A 
ATOM      2  O   LIG    1       -1.546  -0.390   0.268  0.00  0.00    -0.462 OA
ATOM      3  C   LIG    1       -2.788  -0.927   0.111  0.00  0.00    +0.137 A 
ATOM      4  C   LIG    1       -2.663  -2.271  -0.165  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -1.273  -2.547  -0.177  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.887   0.029   0.251  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -5.205  -0.307   0.586  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1       -6.231   0.649   0.690  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -5.942   1.990   0.458  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.642   2.364   0.130  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.632   1.397   0.029  0.00  0.00    +0.014 A 
BRANCH   7  12
ATOM     12  N   LIG    1       -5.577  -1.672   0.868  0.00  0.00    +0.057 N 
ATOM     13  O   LIG    1       -6.099  -2.313  -0.056  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1       -5.412  -2.080   2.025  0.00  0.00    -0.126 OA
ENDBRANCH   7  12
ENDBRANCH   3   6
BRANCH   1  15
ATOM     15  C   LIG    1        0.814  -1.154   0.146  0.00  0.00    -0.053 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.273   0.101   0.287  0.00  0.00    +0.427 NA
BRANCH  16  19
ATOM     17  O   LIG    1        3.132   1.419  -1.508  0.00  0.00    -0.272 OA
ATOM     18  C   LIG    1        3.518   0.784  -0.531  0.00  0.00    +0.226 C 
ATOM     19  N   LIG    1        2.739   0.075   0.366  0.00  0.00    -0.403 N 
ATOM     20  H   LIG    1        3.115  -0.469   1.128  0.00  0.00    +0.121 HD
BRANCH  18  21
ATOM     21  C   LIG    1        4.978   0.737  -0.266  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1        5.858   0.904  -1.328  0.00  0.00    +0.123 A 
ATOM     23  N   LIG    1        7.214   0.884  -1.209  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        7.701   0.701   0.037  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        6.908   0.541   1.164  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.523   0.564   1.008  0.00  0.00    +0.016 A 
ENDBRANCH  18  21
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6