REMARK  Name = BDB058120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.775   0.073   0.409  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.423  -0.176   0.686  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        0.476   0.136  -0.275  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.994   0.016  -0.332  0.00  0.00    +0.048 C 
ATOM      5  C   LIG    1       -1.403   0.547  -1.686  0.00  0.00    +0.249 C 
ATOM      6  N   LIG    1       -0.225   0.924  -2.307  0.00  0.00    -0.281 N 
ATOM      7  H   LIG    1       -0.199   1.318  -3.235  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1       -2.523   0.634  -2.154  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.732  -0.480   0.675  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        0.875   0.689  -1.493  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        2.196   0.946  -1.796  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        3.155   0.631  -0.826  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -3.137  -0.651   0.753  0.00  0.00    +0.059 A 
ATOM     14  N   LIG    1       -4.016  -0.316  -0.247  0.00  0.00    -0.345 N 
ATOM     15  H   LIG    1       -3.783   0.087  -1.148  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1       -5.280  -0.617   0.176  0.00  0.00    +0.196 A 
ATOM     17  N   LIG    1       -5.275  -1.126   1.385  0.00  0.00    -0.244 NA
ATOM     18  C   LIG    1       -3.954  -1.151   1.751  0.00  0.00    +0.138 A 
ENDBRANCH   9  13
BRANCH   1  20
ATOM     19  C   LIG    1        5.015  -0.045   1.210  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        3.628  -0.271   1.424  0.00  0.00    -0.495 OA
ENDBRANCH   1  20
TORSDOF 2