REMARK  Name = BDB025330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.427  -0.980   0.845  0.00  0.00    +0.057 A 
ATOM      2  N   LIG    1        1.114  -0.932   0.502  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1        0.606   0.318   0.462  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        1.283   1.506   0.699  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.348   2.568   0.517  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.885   1.997   0.176  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -2.018   2.788  -0.081  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.891   4.177   0.015  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.677   4.764   0.354  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.447   3.973   0.607  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        2.645   1.417   1.030  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1       -0.701   0.625   0.166  0.00  0.00    -0.313 N 
ATOM     13  C   LIG    1        3.214   0.145   1.101  0.00  0.00    +0.025 A 
ENDROOT
BRANCH  12  14
ATOM     14  C   LIG    1       -1.714  -0.376  -0.160  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1       -1.830  -1.438   0.929  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1       -1.899  -1.174   2.129  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -1.976  -2.739   0.507  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -2.058  -3.424   1.246  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -2.396  -3.157  -0.729  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -2.783  -4.307  -0.914  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -2.462  -2.102  -1.806  0.00  0.00    +0.099 C 
ATOM     22  C   LIG    1       -1.462  -0.991  -1.540  0.00  0.00    +0.044 C 
ENDBRANCH  12  14
BRANCH   1  23
ATOM     23  C   LIG    1        3.059  -2.357   0.915  0.00  0.00    +0.133 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.942  -2.625  -0.223  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1        3.393  -2.514  -1.077  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1        4.221  -3.604  -0.195  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 3