REMARK  Name = BDB005223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.788  -0.653   3.229  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        2.242  -0.463   1.786  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1        1.168   0.002   0.922  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1        1.470   1.204   0.300  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        0.792   1.785  -0.527  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        2.791   1.647   0.785  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        3.560   2.771   0.503  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        4.827   2.840   1.121  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.292   1.831   1.981  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.502   0.719   2.251  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.253   0.639   1.651  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.040  -0.862   0.557  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -1.312  -0.185   0.783  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -2.464  -1.160   0.503  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -2.137  -2.165  -0.517  0.00  0.00    -0.295 NA
ATOM     16  C   LIG    1       -1.209  -1.660  -1.523  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.158  -1.401  -0.879  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.327  -2.829  -1.072  0.00  0.00    +0.158 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.216  -1.974  -1.912  0.00  0.00    +0.119 A 
ATOM     20  O   LIG    1       -5.304  -1.427  -1.294  0.00  0.00    -0.467 OA
ATOM     21  C   LIG    1       -5.971  -0.704  -2.229  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1       -5.336  -0.785  -3.445  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -4.204  -1.611  -3.244  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  24
ATOM     24  C   LIG    1        3.205   3.920  -0.378  0.00  0.00    +0.242 C 
ATOM     25  O   LIG    1        4.053   4.751  -0.694  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        1.930   4.072  -0.825  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        1.767   4.801  -1.506  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        1.240   3.322  -0.791  0.00  0.00    +0.145 HD
ENDBRANCH   7  24
TORSDOF 4