REMARK  Name = BDB020525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.780   0.647   0.000  0.00  0.00    +0.156 A 
ATOM      2  N   LIG    1        2.782   0.140   0.765  0.00  0.00    -0.235 NA
ATOM      3  C   LIG    1        1.507   0.438   0.422  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        1.129   1.207  -0.688  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.187   1.733  -1.460  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        1.896   2.544  -2.570  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.579   2.843  -2.916  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.470   2.321  -2.165  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.210   1.492  -1.065  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.518   1.447  -1.110  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.350   0.955  -0.350  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -1.742  -0.365  -0.314  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -1.246  -1.626  -0.891  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -1.470  -2.694   0.075  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -2.664  -2.794   0.789  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -3.597  -1.578   0.789  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -4.745  -1.822  -0.185  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -2.995  -3.823   1.383  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -0.622  -3.867  -0.038  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -2.869  -0.366   0.464  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -3.118   0.915   0.862  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -2.222   1.741   0.362  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -4.281   1.376   1.787  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.781   2.793   1.681  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -5.628   1.661   1.177  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  29
ATOM     26  C   LIG    1        7.560  -1.241   2.384  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1        6.764  -0.486   1.396  0.00  0.00    +0.148 A 
ATOM     28  N   LIG    1        5.429  -0.460   1.422  0.00  0.00    -0.149 NA
ATOM     29  N   LIG    1        5.127   0.337   0.363  0.00  0.00    -0.202 N 
ATOM     30  C   LIG    1        6.298   0.738  -0.237  0.00  0.00    +0.227 A 
ATOM     31  N   LIG    1        7.338   0.236   0.388  0.00  0.00    -0.219 NA
ENDBRANCH   1  29
TORSDOF 3