REMARK  Name = BDB034252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.812   0.782   0.922  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.568  -0.062   1.994  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.292  -0.290   2.944  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.264  -0.688   1.752  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.789  -0.241   0.520  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        1.571  -0.689   0.030  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        0.837  -1.594   0.806  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        1.344  -2.042   2.044  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        2.571  -1.588   2.534  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        3.767   0.709  -0.091  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.331   2.835  -1.457  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.408   2.423  -0.761  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.276   3.174  -0.573  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        7.242   4.038  -1.096  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.069   2.740  -0.073  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.056   3.414  -0.250  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.109   1.421   0.715  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.086   0.458   0.036  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        8.463   1.095  -0.046  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  O   LIG    1       -0.370  -2.141   0.468  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.103  -1.565  -0.617  0.00  0.00    +0.190 C 
ATOM     22  C   LIG    1       -2.610  -1.920  -0.450  0.00  0.00    +0.097 C 
ATOM     23  C   LIG    1       -3.089  -2.131  -1.892  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1       -1.929  -2.896  -2.508  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -0.688  -2.201  -1.957  0.00  0.00    +0.046 C 
BRANCH  22  26
ATOM     26  N   LIG    1       -3.325  -0.989   0.438  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -3.660   0.311  -0.163  0.00  0.00    +0.094 C 
ATOM     28  C   LIG    1       -5.132  -0.139  -0.333  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -4.751  -1.327   0.583  0.00  0.00    +0.094 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -6.301   0.844   0.113  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -6.341   1.448   1.386  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -7.373   2.312   1.768  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.403   2.599   0.881  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -8.400   2.023  -0.384  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -7.364   1.161  -0.757  0.00  0.00    +0.004 A 
ENDBRANCH  28  30
ENDBRANCH  22  26
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 5