REMARK  Name = BDB046772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.169  -0.120  -0.371  0.00  0.00    -0.343 N 
ATOM      2  C   LIG    1       -2.001  -1.064  -0.952  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -3.314  -0.751  -0.574  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -4.366  -1.572  -1.029  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -4.086  -2.674  -1.842  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.776  -2.968  -2.205  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.253   0.411   0.245  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -4.309   1.155   0.920  0.00  0.00    +0.246 C 
ATOM      9  N   LIG    1       -3.884   2.292   1.588  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -4.652   2.852   1.935  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -2.611   2.937   1.286  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1       -1.443   1.943   1.138  0.00  0.00    +0.073 C 
ATOM     13  O   LIG    1       -5.490   0.826   0.931  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -1.713  -2.172  -1.767  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -1.921   0.777   0.341  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1        0.284  -0.109  -0.487  0.00  0.00    +0.122 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.943  -0.947   0.610  0.00  0.00    +0.023 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.467  -0.977   0.497  0.00  0.00    +0.020 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.120   0.346   0.896  0.00  0.00    +0.104 C 
BRANCH  19  22
ATOM     20  C   LIG    1        6.635   0.365  -0.515  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        5.138   0.520  -0.502  0.00  0.00    +0.210 C 
ATOM     22  N   LIG    1        4.556   0.299   0.725  0.00  0.00    -0.316 N 
ATOM     23  H   LIG    1        5.122  -0.062   1.483  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        4.502   0.806  -1.512  0.00  0.00    -0.276 OA
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5