REMARK  Name = BDB052237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.480   2.531  -0.210  0.00  0.00    -0.271 N 
ATOM      2  N   LIG    1       -2.164   2.518  -0.470  0.00  0.00    -0.171 NA
ATOM      3  C   LIG    1       -1.750   1.296  -0.084  0.00  0.00    +0.100 A 
ATOM      4  C   LIG    1       -2.857   0.524   0.396  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.948   1.363   0.308  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.963  -0.839   0.865  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -2.567  -1.907   0.036  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -2.690  -3.188   0.567  0.00  0.00    +0.139 A 
ATOM      9  N   LIG    1       -2.249  -4.082  -0.369  0.00  0.00    -0.346 N 
ATOM     10  H   LIG    1       -2.225  -5.079  -0.219  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1       -1.859  -3.416  -1.502  0.00  0.00    +0.085 A 
ATOM     12  N   LIG    1       -3.153  -3.533   1.783  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1       -3.525  -2.470   2.529  0.00  0.00    +0.114 A 
ATOM     14  C   LIG    1       -2.048  -2.068  -1.282  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -3.458  -1.141   2.138  0.00  0.00    +0.029 A 
ENDBRANCH   4   6
BRANCH   3  16
ATOM     16  C   LIG    1       -0.335   0.928  -0.195  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        0.283   0.096   0.745  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.635  -0.252   0.618  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        2.394   0.228  -0.449  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        1.787   1.078  -1.379  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        0.437   1.424  -1.254  0.00  0.00    +0.012 A 
BRANCH  19  22
ATOM     22  N   LIG    1        3.761  -0.062  -0.631  0.00  0.00    -0.269 N 
ATOM     23  H   LIG    1        4.183   0.308  -1.468  0.00  0.00    +0.156 HD
ATOM     24  C   LIG    1        4.502  -1.033   0.004  0.00  0.00    +0.306 C 
ATOM     25  N   LIG    1        5.876  -0.952  -0.255  0.00  0.00    -0.291 N 
ATOM     26  C   LIG    1        6.569   0.305  -0.506  0.00  0.00    +0.133 C 
ATOM     27  C   LIG    1        6.703  -2.015   0.294  0.00  0.00    +0.133 C 
ATOM     28  O   LIG    1        4.033  -1.921   0.711  0.00  0.00    -0.252 OA
ENDBRANCH  19  22
ENDBRANCH   3  16
BRANCH   1  30
ATOM     29  C   LIG    1       -4.176   4.746   0.612  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -4.257   3.720  -0.503  0.00  0.00    +0.140 C 
ENDBRANCH   1  30
TORSDOF 4