REMARK  Name = BDB054696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.739   0.896  -1.146  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1       -1.437   1.592  -1.375  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.348  -0.029  -0.293  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.631   0.250  -0.002  0.00  0.00    -0.196 NA
ATOM      5  C   LIG    1       -3.221  -0.658   0.791  0.00  0.00    +0.146 A 
ATOM      6  C   LIG    1       -2.623  -1.791   1.309  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -3.599  -2.463   2.078  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -4.782  -1.740   2.011  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -1.291  -1.988   0.974  0.00  0.00    +0.126 A 
ATOM     10  N   LIG    1       -4.524  -0.613   1.242  0.00  0.00    -0.324 N 
ATOM     11  N   LIG    1       -0.668  -1.099   0.168  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1       -5.450   0.481   0.979  0.00  0.00    +0.089 C 
ATOM     13  C   LIG    1       -5.671   0.809  -0.510  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -5.299   2.281  -0.668  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -5.554   2.878   0.706  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -5.043   1.802   1.653  0.00  0.00    +0.025 C 
ENDBRANCH  10  12
BRANCH   8  17
ATOM     17  C   LIG    1       -6.102  -2.023   2.645  0.00  0.00    +0.209 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -6.130  -3.396   3.004  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -6.029  -3.902   2.180  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH   8  17
ENDBRANCH   1   3
BRANCH   1  24
ATOM     20  C   LIG    1        2.684   0.600  -2.191  0.00  0.00    +0.106 A 
ATOM     21  N   LIG    1        2.218   1.720  -2.856  0.00  0.00    -0.344 N 
ATOM     22  C   LIG    1        2.991   2.538  -3.766  0.00  0.00    +0.149 C 
ATOM     23  C   LIG    1        0.911   1.964  -2.515  0.00  0.00    +0.109 A 
ATOM     24  C   LIG    1        0.501   0.969  -1.661  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        1.599   0.102  -1.476  0.00  0.00    +0.055 A 
BRANCH  20  31
ATOM     26  C   LIG    1        7.593  -1.108   1.646  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1        6.253  -1.399   1.142  0.00  0.00    -0.302 NA
ATOM     28  C   LIG    1        5.419  -0.180   1.142  0.00  0.00    +0.103 C 
ATOM     29  C   LIG    1        4.213  -0.255   0.185  0.00  0.00    +0.123 C 
ATOM     30  N   LIG    1        4.632  -0.499  -1.202  0.00  0.00    -0.294 N 
ATOM     31  C   LIG    1        4.029   0.066  -2.324  0.00  0.00    +0.263 C 
ATOM     32  O   LIG    1        4.633   0.119  -3.397  0.00  0.00    -0.268 OA
ATOM     33  C   LIG    1        5.931  -1.149  -1.369  0.00  0.00    +0.123 C 
ATOM     34  C   LIG    1        6.289  -2.055  -0.180  0.00  0.00    +0.103 C 
ENDBRANCH  20  31
ENDBRANCH   1  24
TORSDOF 6