REMARK  Name = BDB063992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.115  -4.458  -1.242  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.739  -3.373  -0.846  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.545  -2.187  -0.452  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.884  -2.202  -0.469  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.699  -1.165  -0.081  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.495  -1.655  -0.221  0.00  0.00    +0.187 C 
ATOM      7  N   LIG    1       -0.531  -2.935  -0.655  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.340  -3.491  -0.864  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.779  -1.097  -0.089  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.464   0.246  -0.350  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.385   1.245   0.013  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.608   0.941   0.614  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.412   2.029   0.915  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.804   3.134   0.547  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.922  -0.410   0.856  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.262   2.955  -0.172  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.010  -1.412   0.498  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.671  -1.017   0.020  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1       -2.467  -1.618   0.183  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.703   0.253   0.732  0.00  0.00    +0.107 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.027   1.000   0.522  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -4.252   0.248   1.048  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -5.510   1.110   0.919  0.00  0.00    +0.160 C 
ATOM     24  O   LIG    1       -5.422   2.086  -0.120  0.00  0.00    -0.380 OA
ATOM     25  C   LIG    1       -4.728   1.610  -1.267  0.00  0.00    +0.160 C 
ATOM     26  C   LIG    1       -3.249   1.411  -0.944  0.00  0.00    +0.033 C 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4