REMARK  Name = BDB051192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.172   1.121  -0.463  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1       -0.512   2.357  -0.578  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.882   2.285  -0.525  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.616   3.460  -0.642  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.002   4.704  -0.802  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.383   4.787  -0.840  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        1.542   1.137  -0.363  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1        0.838   0.009  -0.235  0.00  0.00    +0.222 A 
ATOM      9  C   LIG    1       -1.139   3.623  -0.726  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.498  -0.029  -0.278  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.594   1.088  -0.540  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -2.903   1.631  -1.340  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -4.735  -2.844   1.680  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -4.394  -1.661   0.855  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1       -5.287  -1.157  -0.006  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1       -4.644  -0.114  -0.557  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -5.137   0.435  -1.248  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1       -3.368   0.067  -0.093  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -3.186  -0.927   0.842  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  N   LIG    1        1.447  -1.229  -0.058  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        0.730  -1.937  -0.010  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.773  -1.659   0.048  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.878  -0.803   0.015  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        5.183  -1.297   0.126  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.406  -2.663   0.273  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.323  -3.534   0.309  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.021  -3.034   0.198  0.00  0.00    +0.023 A 
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 4