REMARK  Name = BDB048800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.403   2.220   0.502  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1       -2.405   1.191   0.290  0.00  0.00    -0.343 N 
ATOM      3  C   LIG    1       -2.675  -0.163   0.253  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.470  -0.811  -0.017  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.466  -2.220  -0.124  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -2.655  -2.950   0.047  0.00  0.00    -0.036 A 
ATOM      7  C   LIG    1       -3.844  -2.266   0.317  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.452   0.189  -0.118  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -3.875  -0.871   0.425  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.056   1.421   0.101  0.00  0.00    +0.053 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -0.445   2.749   0.140  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -0.210   3.381   1.366  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.381   4.645   1.402  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        0.742   5.281   0.215  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        0.514   4.654  -1.010  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -0.077   3.390  -1.048  0.00  0.00    +0.010 A 
ENDBRANCH  10  11
BRANCH   6  17
ATOM     17  C   LIG    1       -2.647  -4.456  -0.056  0.00  0.00    +0.155 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.270  -5.013  -1.321  0.00  0.00    +0.309 C 
ATOM     19  O   LIG    1       -3.840  -4.376  -2.192  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -3.152  -6.365  -1.395  0.00  0.00    -0.480 OA
ATOM     21  H   LIG    1       -2.683  -6.767  -0.639  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   6  17
BRANCH   8  22
ATOM     22  C   LIG    1        1.005  -0.056  -0.381  0.00  0.00    +0.042 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.808  -0.182   0.917  0.00  0.00    +0.040 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.280  -0.370   0.646  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1        4.105   0.741   0.424  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.463   0.570   0.154  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.008  -0.711   0.100  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.195  -1.823   0.313  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.836  -1.655   0.583  0.00  0.00    +0.003 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 7