REMARK  Name = BDB053022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.495   1.078  -0.243  0.00  0.00    +0.236 C 
ATOM      2  N   LIG    1       -0.307   1.580   0.246  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.617   2.338  -0.602  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        1.688   2.914   0.349  0.00  0.00    +0.025 C 
ATOM      5  C   LIG    1        3.058   2.229   0.201  0.00  0.00    +0.089 C 
ATOM      6  N   LIG    1        2.910   0.787   0.069  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        2.167   0.386  -1.131  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.067   2.751   1.741  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1        1.258   1.484  -1.699  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1        0.154   1.544   1.623  0.00  0.00    +0.108 C 
ATOM     11  O   LIG    1       -1.866   1.307  -1.401  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -2.329   0.142   0.670  0.00  0.00    +0.162 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.692  -1.266   0.764  0.00  0.00    +0.018 C 
ATOM     14  C   LIG    1       -2.335  -2.068   1.914  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1       -2.011  -3.553   1.805  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -2.571  -4.163   0.520  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -2.747  -3.150  -0.611  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -1.688  -2.054  -0.567  0.00  0.00    +0.006 C 
ENDBRANCH  12  13
BRANCH  12  20
ATOM     19  C   LIG    1       -4.670   0.929   0.617  0.00  0.00    +0.230 C 
ATOM     20  N   LIG    1       -3.686   0.095   0.123  0.00  0.00    -0.302 N 
ATOM     21  H   LIG    1       -3.730  -0.093  -0.873  0.00  0.00    +0.150 HD
ATOM     22  O   LIG    1       -4.537   1.593   1.645  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -5.944   0.988  -0.258  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1       -5.799   2.176  -1.208  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1       -8.380   1.218  -0.056  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -7.115   1.053   0.636  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1       -6.968   1.813   1.305  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH  12  20
ENDBRANCH   1  12
BRANCH   6  28
ATOM     28  C   LIG    1        4.148   0.022   0.272  0.00  0.00    +0.089 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.330   0.381  -0.647  0.00  0.00    +0.050 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.526  -0.503  -0.382  0.00  0.00    -0.046 A 
ATOM     31  C   LIG    1        6.688  -1.706  -1.082  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        7.783  -2.532  -0.824  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.722  -2.166   0.138  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        8.567  -0.975   0.844  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        7.473  -0.147   0.588  0.00  0.00    +0.003 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 8