REMARK  Name = BDB029662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.893  -0.752  -0.663  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1        0.907  -0.325   0.375  0.00  0.00    +0.084 C 
ATOM      3  C   LIG    1        1.220   1.013   1.047  0.00  0.00    +0.029 C 
ATOM      4  C   LIG    1        0.678  -1.442   1.431  0.00  0.00    +0.107 C 
ATOM      5  N   LIG    1        0.249  -2.737   0.870  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1        0.549  -2.863  -0.568  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1        1.898  -2.212  -0.944  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.695   0.924  -0.754  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1        4.807   1.256  -1.720  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        3.585   0.679  -1.639  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1        3.181  -0.214  -0.642  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        4.132  -0.527   0.333  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.404   0.044   0.284  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1        8.805   2.767   0.367  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.579   2.009   0.360  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.946   2.130   1.139  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.048   1.562  -0.844  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.628   1.685  -1.917  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   5  19
ATOM     19  C   LIG    1       -1.092  -3.183   1.255  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.254  -2.373   0.735  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -2.761  -1.271   1.434  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -3.830  -0.562   0.900  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -4.373  -0.975  -0.311  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -5.493  -0.230  -0.872  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -6.016   0.856  -0.266  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -5.426   1.268   1.069  0.00  0.00    +0.253 A 
ATOM     27  O   LIG    1       -5.875   2.219   1.704  0.00  0.00    -0.268 OA
ATOM     28  N   LIG    1       -3.924  -2.040  -1.006  0.00  0.00    -0.253 NA
ATOM     29  N   LIG    1       -4.368   0.545   1.558  0.00  0.00    -0.321 N 
ATOM     30  H   LIG    1       -4.002   0.853   2.449  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -2.881  -2.712  -0.466  0.00  0.00    +0.116 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -7.159   1.613  -0.821  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -6.953   3.051  -1.232  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -7.185   2.004  -2.279  0.00  0.00    +0.009 C 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 5