REMARK  Name = BDB011623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.535  -0.299  -1.228  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.595   0.019  -0.507  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.426   0.298   0.461  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.574  -0.501  -2.437  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.890   0.149  -0.921  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.887   0.788  -0.008  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        2.635   1.097   1.147  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        4.093   0.881  -0.703  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        3.936   0.196  -1.944  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        4.557   0.874  -3.089  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        2.587  -0.198  -2.017  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        2.120  -0.987  -3.197  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        5.392   0.816  -0.030  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        5.624  -0.535   0.675  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        6.646  -0.460   1.813  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        7.686   0.626   1.577  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        7.050   2.014   1.466  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.614   1.987   0.935  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -3.531  -1.080  -2.149  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -3.088  -0.658  -0.795  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -3.856  -0.500   0.356  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1       -2.992  -0.160   1.369  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1       -1.706  -0.043   0.906  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.753  -0.335  -0.402  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.265  -0.662   0.599  0.00  0.00    -0.006 C 
ATOM     26  C   LIG    1       -5.764  -1.483   1.769  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1       -6.534  -0.698   2.830  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -7.736   0.109   2.332  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -8.357  -0.425   1.044  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -7.614   0.035  -0.213  0.00  0.00    +0.027 C 
ATOM     31  C   LIG    1       -6.111  -0.035  -0.247  0.00  0.00    -0.020 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4