REMARK  Name = BDB004101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.923  -0.571   0.531  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.706  -1.247   0.761  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        1.563  -0.599   0.265  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1        1.636   0.686  -0.434  0.00  0.00    +0.113 A 
ATOM      5  N   LIG    1        0.391   1.057  -0.774  0.00  0.00    -0.151 NA
ATOM      6  N   LIG    1       -0.343   0.007  -0.360  0.00  0.00    -0.170 N 
ATOM      7  C   LIG    1        2.854   1.350  -0.653  0.00  0.00    +0.035 A 
ATOM      8  N   LIG    1        0.274  -0.972   0.329  0.00  0.00    -0.151 NA
ATOM      9  C   LIG    1        3.989   0.678  -0.149  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.800   0.038  -0.475  0.00  0.00    +0.214 C 
ATOM     11  C   LIG    1       -2.257  -1.154  -1.308  0.00  0.00    +0.246 C 
ATOM     12  O   LIG    1       -1.659  -1.550  -2.309  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -3.438  -1.776  -0.960  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -3.573  -2.629  -1.492  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.653  -1.157  -0.805  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -5.682  -1.745  -1.136  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.681   0.281  -0.348  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -3.892   0.554   0.924  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -2.438   0.080   0.920  0.00  0.00    +0.038 C 
ENDBRANCH   6  10
BRANCH   1  21
ATOM     20  C   LIG    1        6.295  -0.667   0.820  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.013  -1.244   1.033  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
TORSDOF 2