REMARK  Name = BDB060072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.585   1.671   0.390  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.059   0.389  -0.016  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1       -1.240  -0.033   0.151  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.254  -1.313  -0.396  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -2.444  -2.057  -0.393  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -3.596  -1.488   0.161  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -3.560  -0.193   0.687  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.017  -1.657  -0.873  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1       -2.378   0.557   0.716  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        0.770  -0.627  -0.621  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1       -4.672   0.374   1.269  0.00  0.00    -0.454 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.799   0.494   0.493  0.00  0.00    +0.146 A 
ATOM     13  C   LIG    1       -5.800   0.783  -0.867  0.00  0.00    +0.156 A 
ATOM     14  N   LIG    1       -6.927   0.930  -1.606  0.00  0.00    -0.260 NA
ATOM     15  C   LIG    1       -8.102   0.794  -0.952  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -8.202   0.525   0.404  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -7.027   0.380   1.138  0.00  0.00    +0.049 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  18
ATOM     18  C   LIG    1        2.223  -0.550  -0.965  0.00  0.00    +0.303 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.930  -0.244   0.237  0.00  0.00    -0.484 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.288  -0.116   0.150  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        5.064  -0.336  -0.988  0.00  0.00    +0.060 A 
ATOM     22  C   LIG    1        6.455  -0.163  -0.920  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1        7.068   0.256   0.263  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        6.292   0.468   1.399  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.910   0.276   1.341  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        7.302  -0.386  -2.111  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1        8.180   0.382  -2.458  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        7.017  -1.545  -2.740  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        6.421  -2.141  -2.248  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  10  18
TORSDOF 7