REMARK  Name = BDB062111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.584  -1.220  -0.248  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        2.334  -1.805  -0.493  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.175  -1.032  -0.323  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.133  -1.395  -0.500  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.834  -0.319  -0.224  0.00  0.00    +0.115 A 
ATOM      6  N   LIG    1       -0.028   0.735   0.142  0.00  0.00    -0.324 N 
ATOM      7  C   LIG    1        1.280   0.298   0.078  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        2.518   0.904   0.326  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.666   0.119   0.153  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.198  -0.667  -2.180  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        5.938  -1.774  -1.230  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        4.795  -1.995  -0.417  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        5.083  -3.166   0.251  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        4.384  -3.990   1.256  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        6.308  -3.612  -0.138  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        6.850  -2.740  -1.062  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  C   LIG    1       -0.502   2.069   0.498  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -0.055   3.138  -0.509  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -0.697   4.504  -0.232  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1       -1.000   4.750   1.249  0.00  0.00    +0.115 C 
ATOM     21  C   LIG    1       -0.058   3.970   2.160  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -0.167   2.455   1.952  0.00  0.00    +0.027 C 
BRANCH  20  23
ATOM     23  O   LIG    1       -2.335   4.329   1.528  0.00  0.00    -0.392 OA
ATOM     24  H   LIG    1       -2.938   4.951   1.084  0.00  0.00    +0.210 HD
ENDBRANCH  20  23
ENDBRANCH   6  17
BRANCH   5  25
ATOM     25  C   LIG    1       -2.390  -0.301  -0.310  0.00  0.00    +0.063 C 
ATOM     26  C   LIG    1       -3.069  -1.135  -1.380  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1       -3.046   0.371  -1.483  0.00  0.00    +0.020 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -4.350  -1.863  -1.050  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1       -5.535  -1.635  -1.769  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.714  -2.320  -1.466  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.730  -3.258  -0.437  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.566  -3.513   0.282  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.390  -2.824  -0.026  0.00  0.00    +0.004 A 
ENDBRANCH  26  28
ENDBRANCH   5  25
TORSDOF 5