REMARK  Name = BDB007620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.912  -3.346   0.869  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.752  -2.244   1.380  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.415  -1.874   2.004  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.519  -0.943   2.386  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.829  -1.225   1.339  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -3.156  -1.649   1.468  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -4.195  -0.716   1.429  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.927   0.647   1.232  0.00  0.00    -0.033 A 
ATOM      9  C   LIG    1       -2.590   1.059   1.093  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -1.546   0.131   1.142  0.00  0.00    +0.013 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -5.048   1.666   1.175  0.00  0.00    +0.119 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -5.693   1.870  -0.124  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1       -6.540   0.765  -0.598  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1       -5.998   0.086  -1.866  0.00  0.00    +0.175 C 
ATOM     15  O   LIG    1       -5.838   0.997  -2.964  0.00  0.00    -0.377 OA
ATOM     16  C   LIG    1       -5.509   2.332  -2.550  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1       -4.811   2.383  -1.181  0.00  0.00    +0.113 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        1.575  -2.750   2.067  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.357  -2.852   0.741  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.639  -3.623  -0.233  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        0.704  -3.683   0.054  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.716  -1.482   0.121  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.408  -0.539   1.026  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.537   0.798   0.406  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        4.630   0.927  -0.633  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.718   0.036  -0.652  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.732   0.197  -1.605  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.679   1.249  -2.519  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.614   2.145  -2.490  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.764  -1.129   0.305  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        4.597   1.989  -1.549  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.745  -0.996   1.446  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8