REMARK  Name = BDB021956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.221  -0.355   1.309  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.669  -1.270   0.735  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.968  -1.175   1.179  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.079  -0.882   2.136  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.291  -2.102  -0.088  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        1.656  -0.442   0.944  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1        2.292  -1.786   1.363  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1        3.017  -2.478   0.215  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        3.941  -1.560  -0.449  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1        5.228  -1.989  -0.749  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1        5.652  -3.105  -0.451  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1        6.119  -1.007  -1.469  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        3.412  -0.260  -0.853  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        1.933  -0.082  -0.526  0.00  0.00    +0.041 C 
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1       -3.105  -1.784   0.606  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -4.279  -1.806   1.367  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -5.451  -2.372   0.855  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -5.466  -2.928  -0.428  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1       -6.729  -3.508  -0.994  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -4.300  -2.880  -1.198  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.129  -2.313  -0.685  0.00  0.00    +0.023 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1       -0.188   0.850   2.046  0.00  0.00    +0.144 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -0.177   4.432  -0.387  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        0.711   4.304   0.680  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        0.705   3.145   1.466  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -0.186   2.098   1.195  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -1.078   2.236   0.123  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -1.068   3.393  -0.659  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1        0.608   6.593  -0.991  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -0.274   5.504  -1.230  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5