REMARK  Name = BDB021141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.422  -0.953  -2.215  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.309  -0.468  -1.133  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.084   0.106   0.169  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        1.069   0.362   0.866  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        2.175   0.050   0.135  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        3.349   0.204   0.415  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -1.219   0.297   0.566  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        1.700  -0.519  -1.121  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        2.450  -1.046  -2.155  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.752  -1.554  -3.243  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.344  -1.510  -3.265  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        1.080   1.066   2.140  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        1.409   2.542   1.898  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        1.229   3.119   0.827  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        1.867   3.238   2.995  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        2.071   4.217   2.843  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        2.198   2.741   4.231  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        2.644   3.473   5.109  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        1.922   1.274   4.467  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        2.033   0.476   3.176  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -1.806  -0.944  -2.363  0.00  0.00    -0.330 N 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.501   0.652  -3.126  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -2.554   0.266  -1.996  0.00  0.00    +0.102 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -2.478  -2.242  -2.189  0.00  0.00    +0.102 C 
ATOM     25  C   LIG    1       -2.476  -2.723  -0.744  0.00  0.00    +0.024 C 
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 4