REMARK  Name = BDB045752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.898  -0.633   0.099  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -1.642   0.152  -0.783  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -3.024   0.280  -0.599  0.00  0.00    +0.050 A 
ATOM      4  N   LIG    1       -3.739   1.076  -1.502  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -3.268   1.538  -2.269  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -5.093   1.290  -1.442  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -5.844   0.632  -0.343  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -5.163  -0.180   0.587  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -5.936  -0.771   1.603  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -7.319  -0.563   1.686  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -7.965   0.241   0.755  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -7.229   0.841  -0.261  0.00  0.00    +0.014 A 
ATOM     13  O   LIG    1       -5.652   2.002  -2.269  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -3.701  -0.366   0.454  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -2.930  -1.165   1.316  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -1.548  -1.302   1.139  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        1.111  -1.833   0.355  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        0.572  -0.810  -0.048  0.00  0.00    +0.244 C 
ATOM     19  N   LIG    1        1.264   0.242  -0.612  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        0.806   1.139  -0.710  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.713   0.211  -0.715  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.401   0.559   0.623  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.867   0.615   0.632  0.00  0.00    -0.297 NA
ATOM     24  C   LIG    1        5.497  -0.712   0.507  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1        6.992  -0.584   0.180  0.00  0.00    +0.175 C 
ATOM     26  O   LIG    1        7.236   0.048  -1.086  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        6.192   0.947  -1.482  0.00  0.00    +0.175 C 
ATOM     28  C   LIG    1        5.460   1.593  -0.294  0.00  0.00    +0.112 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  18
TORSDOF 4