REMARK  Name = BDB055929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.866   0.517  -0.550  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1       -2.178   0.770  -1.486  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.779   1.056   0.401  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -4.095   0.550   0.531  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -4.953   1.316   1.341  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -6.299   0.990   1.438  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1       -6.874   1.604   1.995  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -6.907  -0.033   0.772  0.00  0.00    +0.258 A 
ATOM      9  C   LIG    1       -6.034  -0.936  -0.018  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -6.622  -2.062  -0.618  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.833  -2.984  -1.293  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.459  -2.791  -1.347  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.877  -1.663  -0.751  0.00  0.00    +0.009 A 
ATOM     14  O   LIG    1       -8.119  -0.211   0.840  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -4.608   2.425   2.031  0.00  0.00    -0.237 NA
ATOM     16  C   LIG    1       -3.342   2.847   1.904  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1       -4.648  -0.681  -0.101  0.00  0.00    -0.000 A 
ATOM     18  C   LIG    1       -2.415   2.222   1.097  0.00  0.00    +0.043 A 
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        2.365   0.221  -0.358  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        1.604   0.179   0.808  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.208   0.284   0.752  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -0.457   0.461  -0.466  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        0.309   0.469  -1.637  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        1.704   0.363  -1.583  0.00  0.00    +0.025 A 
BRANCH  19  27
ATOM     25  O   LIG    1        4.304  -0.281   1.847  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1        4.622  -0.077   0.682  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1        3.772   0.130  -0.390  0.00  0.00    -0.282 N 
ATOM     28  H   LIG    1        4.190   0.156  -1.310  0.00  0.00    +0.155 HD
BRANCH  26  29
ATOM     29  C   LIG    1        6.073  -0.086   0.339  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        6.607   0.780  -0.628  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1        7.974   0.742  -0.914  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        8.797  -0.149  -0.231  0.00  0.00    +0.123 A 
ATOM     33  F   LIG    1       10.106  -0.180  -0.509  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        8.283  -0.999   0.742  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1        6.918  -0.965   1.032  0.00  0.00    +0.016 A 
ENDBRANCH  26  29
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 4