REMARK  Name = BDB051290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.559   2.292  -1.724  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.140   1.593  -0.900  0.00  0.00    +0.264 C 
ATOM      3  N   LIG    1        0.523   0.990   0.172  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.112   0.394   0.747  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.582   1.308  -0.977  0.00  0.00    +0.149 A 
ATOM      6  N   LIG    1        3.203   0.509  -0.079  0.00  0.00    -0.160 NA
ATOM      7  N   LIG    1        4.490   0.502  -0.487  0.00  0.00    -0.215 N 
ATOM      8  C   LIG    1        4.701   1.261  -1.612  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1        5.948   1.375  -2.181  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        6.102   1.936  -3.011  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        7.038   0.723  -1.635  0.00  0.00    +0.259 A 
ATOM     12  C   LIG    1        6.803  -0.102  -0.410  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1        7.867  -0.783   0.187  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        7.643  -1.553   1.332  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.361  -1.645   1.883  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.291  -0.970   1.295  0.00  0.00    +0.028 A 
ATOM     17  O   LIG    1        8.153   0.817  -2.134  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1        5.522  -0.202   0.151  0.00  0.00    +0.080 A 
ATOM     19  C   LIG    1        3.489   1.797  -1.957  0.00  0.00    +0.081 A 
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1       -0.902   1.072   0.413  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.670   0.059  -0.442  0.00  0.00    +0.041 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.224   0.096  -0.249  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -3.891  -0.950  -1.176  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -3.878  -0.332  -2.575  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -3.764   1.178  -2.376  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.804   1.397  -0.865  0.00  0.00    +0.022 C 
BRANCH  22  27
ATOM     27  N   LIG    1       -3.522  -0.101   1.186  0.00  0.00    -0.292 NA
ATOM     28  C   LIG    1       -4.828   0.386   1.666  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1       -5.126  -0.104   3.093  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1       -5.236  -1.529   3.187  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1       -4.480  -2.216   2.184  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1       -3.228  -1.446   1.729  0.00  0.00    +0.113 C 
ENDBRANCH  22  27
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5