REMARK  Name = BDB031238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.248  -0.632   0.303  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.884  -0.634  -0.040  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        1.132   0.522   0.239  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        1.692   1.621   0.876  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.766   2.604   1.066  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -0.364   2.161   0.540  0.00  0.00    +0.118 A 
ATOM      7  C   LIG    1        3.048   1.606   1.237  0.00  0.00    +0.030 A 
ATOM      8  N   LIG    1       -0.209   0.853   0.079  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1        3.820   0.473   0.946  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -1.192  -0.020  -0.447  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.343  -0.294   0.305  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.247  -1.163  -0.259  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -3.038  -1.755  -1.504  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -4.128  -2.574  -1.776  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -4.275  -3.147  -2.590  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -5.024  -2.505  -0.700  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -6.083  -3.096  -0.596  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -1.910  -1.517  -2.252  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -4.461  -1.623   0.235  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -4.894  -1.393   1.115  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -0.968  -0.637  -1.706  0.00  0.00    +0.028 A 
ENDBRANCH   8  10
BRANCH   1  25
ATOM     22  C   LIG    1        6.229  -2.779  -0.614  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.399  -1.677  -0.195  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        5.752  -0.742  -0.346  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.043  -1.855  -0.010  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        3.482  -2.939  -0.128  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
BRANCH   6  27
ATOM     27  C   LIG    1       -1.550   3.082   0.358  0.00  0.00    +0.049 C 
ATOM     28  C   LIG    1       -2.540   3.023   1.517  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -2.239   2.987  -1.000  0.00  0.00    +0.015 C 
ENDBRANCH   6  27
TORSDOF 3