REMARK  Name = BDB029696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.678   1.376   1.133  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        0.204   0.033   0.707  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -1.272  -0.199   0.427  0.00  0.00    +0.093 C 
ATOM      4  N   LIG    1       -2.262   0.901   0.634  0.00  0.00    -0.311 N 
ATOM      5  C   LIG    1       -1.625   2.234   0.643  0.00  0.00    +0.122 C 
ATOM      6  C   LIG    1       -0.603  -0.855   1.606  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -0.419   2.247   1.603  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.533   0.676   0.081  0.00  0.00    +0.104 A 
ATOM      9  N   LIG    1       -4.388  -0.322   0.568  0.00  0.00    -0.299 N 
ATOM     10  C   LIG    1       -3.995  -1.101   1.733  0.00  0.00    +0.154 C 
ATOM     11  C   LIG    1       -5.634  -0.619  -0.000  0.00  0.00    +0.265 A 
ATOM     12  O   LIG    1       -6.355  -1.537   0.399  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -6.088   0.233  -1.137  0.00  0.00    +0.101 A 
ATOM     14  C   LIG    1       -5.269   1.208  -1.557  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.984   1.422  -0.949  0.00  0.00    +0.043 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -7.399   0.079  -1.839  0.00  0.00    +0.249 C 
ATOM     17  N   LIG    1       -8.235  -0.885  -1.336  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1       -7.884  -1.484  -0.588  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -9.486  -1.218  -1.963  0.00  0.00    +0.128 C 
ATOM     20  O   LIG    1       -7.697   0.775  -2.808  0.00  0.00    -0.270 OA
ENDBRANCH  13  16
ENDBRANCH   4   8
BRANCH   1  21
ATOM     21  C   LIG    1        1.756   1.319   2.131  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1        7.207  -0.694  -0.816  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        6.732   0.552  -1.505  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1        7.339   1.039  -2.453  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1        5.583   1.130  -1.029  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        5.274   1.964  -1.507  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        4.863   0.621   0.057  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        5.306  -0.529   0.708  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1        4.673  -1.087   1.762  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1        3.545  -0.466   2.179  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1        3.018   0.688   1.597  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1        3.705   1.240   0.508  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1        6.523  -1.180   0.236  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1        8.243  -2.132  -2.597  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        8.473  -1.324  -1.327  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 5