REMARK  Name = BDB048838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.157   1.509  -0.754  0.00  0.00    -0.083 NA
ATOM      2  C   LIG    1       -1.267   0.369  -0.163  0.00  0.00    +0.133 C 
ATOM      3  C   LIG    1       -2.528  -0.395  -0.231  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.494  -1.316   0.823  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -3.588  -2.114   1.082  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -4.700  -2.003   0.237  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.716  -1.080  -0.828  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.315  -1.196   1.563  0.00  0.00    -0.312 N 
ATOM      9  H   LIG    1       -0.940  -1.989   2.078  0.00  0.00    +0.152 HD
ATOM     10  C   LIG    1       -3.620  -0.249  -1.065  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -0.417  -0.419   0.826  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        0.923  -0.513   0.863  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1        2.017  -0.023   0.011  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.207  -0.374   0.663  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.455  -0.086   0.135  0.00  0.00    +0.063 A 
ATOM     16  C   LIG    1        4.514   0.548  -1.105  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        3.331   0.851  -1.799  0.00  0.00    +0.002 A 
ATOM     18 CL   LIG    1        5.902  -0.520   0.955  0.00  0.00    -0.082 Cl
ATOM     19  N   LIG    1        2.929  -1.095   1.825  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        3.625  -1.515   2.424  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.078   0.547  -1.250  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.571  -1.295   1.980  0.00  0.00    +0.251 C 
ATOM     23  O   LIG    1        1.023  -1.976   2.827  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  25
ATOM     24  C   LIG    1       -0.106   3.542  -0.819  0.00  0.00    +0.313 C 
ATOM     25  O   LIG    1       -0.063   2.231  -0.268  0.00  0.00    -0.397 OA
ENDBRANCH   1  25
TORSDOF 1