REMARK  Name = BDB007723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.260  -0.826  -1.626  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.630   0.382  -1.840  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        1.218   1.193  -1.981  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.691  -1.906  -1.738  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        7.366   0.368   0.388  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        6.808  -0.710  -0.306  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        5.442  -0.742  -0.628  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        4.617   0.340  -0.246  0.00  0.00    -0.017 A 
ATOM      9  C   LIG    1        3.249   0.314  -0.568  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        2.703  -0.769  -1.269  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        3.518  -1.845  -1.629  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.186   1.416   0.453  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.879  -1.829  -1.316  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        6.549   1.431   0.767  0.00  0.00    +0.046 A 
BRANCH   5  16
ATOM     15  C   LIG    1        9.323   1.321   1.347  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        8.707   0.258   0.630  0.00  0.00    -0.495 OA
ENDBRANCH   5  16
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  C   LIG    1       -0.734   0.469  -2.358  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.804  -0.106  -1.400  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.919  -1.520  -1.602  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -1.005  -1.884  -1.590  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -3.175   0.565  -1.679  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.301   0.317  -0.759  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.062   0.838   0.595  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.215   0.578   1.545  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.142  -0.448   1.285  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.181  -0.694   2.193  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.284   0.055   3.364  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.356   1.059   3.634  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.053  -1.235   0.001  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.324   1.318   2.731  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.686  -1.099  -0.685  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7