REMARK  Name = BDB014725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.469   4.777  -0.486  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.127   3.422  -0.567  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.308   2.309  -0.419  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.925   2.412   0.094  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.159   1.170  -0.186  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.786   0.851   0.002  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.541  -0.402  -0.394  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.722  -0.880  -0.832  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.725   0.029  -0.715  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.151  -0.114  -1.088  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.957   0.982  -0.361  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.338   3.338  -0.770  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.094   1.741   0.527  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.266   2.641   0.812  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.489   1.662   0.746  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.285   0.584   0.344  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        3.670   0.542   0.600  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1        4.283   1.601   1.294  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1        5.753   1.617   1.618  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        3.494   2.688   1.692  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        2.121   2.713   1.426  0.00  0.00    +0.023 A 
BRANCH  17  22
ATOM     22  C   LIG    1        4.423  -0.606   0.128  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.121  -1.916   0.435  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        5.054  -2.680  -0.202  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        5.156  -4.118  -0.184  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        5.948  -1.961  -0.908  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        5.553  -0.699  -0.715  0.00  0.00    +0.142 A 
ENDBRANCH  17  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -1.786  -2.232  -1.372  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.868  -3.265  -0.286  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -3.195  -3.801   0.191  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -2.280  -4.678  -0.618  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 5