REMARK  Name = BDB052288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.388  -0.265  -0.174  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.091   0.205   0.124  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1        3.933   1.386   0.935  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        2.593   1.614   1.067  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        1.973   0.604   0.361  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        4.933   2.173   1.497  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        6.213   1.678   1.180  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        2.870  -0.260  -0.184  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        6.438   0.514   0.382  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        0.574   0.400   0.181  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        0.131  -0.691  -0.579  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.236  -0.912  -0.770  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -2.189  -0.050  -0.210  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1       -1.738   1.038   0.552  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -0.370   1.265   0.747  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -3.668  -0.316  -0.430  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -4.381  -0.751   0.874  0.00  0.00    +0.089 C 
ATOM     18  N   LIG    1       -5.850  -0.642   0.850  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1       -6.121   0.235   1.297  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -6.376  -0.653  -0.512  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -5.876   0.548  -1.318  0.00  0.00    +0.016 C 
ATOM     22  C   LIG    1       -4.400   0.876  -1.062  0.00  0.00    +0.010 C 
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  26
ATOM     23  N   LIG    1        6.702  -2.232  -0.642  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        6.780  -3.111  -1.139  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        7.093  -2.187   0.288  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        5.639  -1.449  -1.010  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        4.962  -1.736  -1.986  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3