REMARK  Name = BDB014045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.328  -2.561  -1.871  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.247  -1.559  -1.084  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1        0.146  -0.402  -0.365  0.00  0.00    +0.121 A 
ATOM      4  N   LIG    1       -0.901   0.253   0.156  0.00  0.00    -0.167 NA
ATOM      5  N   LIG    1       -1.956  -0.536  -0.147  0.00  0.00    -0.242 N 
ATOM      6  C   LIG    1       -1.614  -1.641  -0.881  0.00  0.00    +0.164 A 
ATOM      7  N   LIG    1       -2.435  -2.609  -1.325  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1       -1.764  -3.541  -2.021  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1       -0.449  -3.566  -2.319  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1        1.596   0.110  -0.125  0.00  0.00    +0.068 A 
ATOM     11  N   LIG    1        2.742  -0.552  -0.476  0.00  0.00    -0.353 N 
ATOM     12  H   LIG    1        2.766  -1.467  -0.912  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1        3.848   0.181  -0.114  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        3.384   1.341   0.509  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.321   2.279   0.989  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        5.681   2.009   0.821  0.00  0.00    +0.118 A 
ATOM     17  C   LIG    1        6.122   0.848   0.199  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        5.210  -0.096  -0.282  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        1.962   1.278   0.507  0.00  0.00    +0.038 A 
BRANCH  16  20
ATOM     20  O   LIG    1        6.630   2.885   1.267  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        6.180   3.638   1.683  0.00  0.00    +0.292 HD
ENDBRANCH  16  20
ENDBRANCH   3  10
BRANCH   5  22
ATOM     22  C   LIG    1       -3.292  -0.170   0.299  0.00  0.00    +0.114 C 
ATOM     23  C   LIG    1       -3.812   1.077  -0.432  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.799   1.856   0.426  0.00  0.00    +0.162 C 
ATOM     25  O   LIG    1       -5.562   0.954   1.218  0.00  0.00    -0.380 OA
ATOM     26  C   LIG    1       -4.789   0.336   2.248  0.00  0.00    +0.162 C 
ATOM     27  C   LIG    1       -3.362   0.012   1.816  0.00  0.00    +0.055 C 
ENDBRANCH   5  22
BRANCH   1  28
ATOM     28  N   LIG    1        1.663  -2.571  -2.296  0.00  0.00    -0.342 N 
ATOM     29  H   LIG    1        1.842  -1.730  -2.844  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        1.758  -3.395  -2.891  0.00  0.00    +0.144 HD
ENDBRANCH   1  28
TORSDOF 4