REMARK  Name = BDB059470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.300  -0.106   0.303  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -2.139  -1.451   0.483  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1       -0.788  -1.687   0.353  0.00  0.00    +0.111 A 
ATOM      4  C   LIG    1       -0.323  -3.037   0.524  0.00  0.00    +0.263 A 
ATOM      5  N   LIG    1       -1.346  -3.928   0.794  0.00  0.00    -0.313 N 
ATOM      6  H   LIG    1       -1.068  -4.889   0.925  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -2.671  -3.558   0.893  0.00  0.00    +0.201 A 
ATOM      8  O   LIG    1        0.845  -3.402   0.447  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -0.193  -0.430   0.087  0.00  0.00    +0.107 A 
ATOM     10  N   LIG    1       -3.121  -2.350   0.748  0.00  0.00    -0.218 NA
ATOM     11  N   LIG    1       -1.132   0.536   0.073  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.212  -0.088  -0.138  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        1.734   1.086   0.446  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1        3.078   1.408   0.222  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1        3.845   0.570  -0.570  0.00  0.00    +0.157 A 
ATOM     16  O   LIG    1        5.103   1.095  -0.632  0.00  0.00    -0.425 OA
ATOM     17  C   LIG    1        5.016   2.228   0.121  0.00  0.00    +0.286 A 
ATOM     18  C   LIG    1        3.382  -0.588  -1.177  0.00  0.00    +0.049 A 
ATOM     19  N   LIG    1        3.844   2.458   0.662  0.00  0.00    -0.196 NA
ATOM     20  C   LIG    1        2.034  -0.898  -0.944  0.00  0.00    +0.014 A 
BRANCH  17  21
ATOM     21  N   LIG    1        6.137   2.944   0.238  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        6.163   3.568   1.035  0.00  0.00    +0.147 HD
ATOM     23  H   LIG    1        7.002   2.443   0.081  0.00  0.00    +0.147 HD
ENDBRANCH  17  21
ENDBRANCH   9  12
BRANCH   1  25
ATOM     24  C   LIG    1       -3.846   1.318  -0.989  0.00  0.00    +0.032 C 
ATOM     25  C   LIG    1       -3.550   0.643   0.350  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -3.551   1.655   1.495  0.00  0.00    +0.032 C 
ENDBRANCH   1  25
TORSDOF 3