REMARK  Name = BDB016672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.513  -1.855   1.552  0.00  0.00    +0.102 A 
ATOM      2  C   LIG    1       -0.733  -1.597   0.893  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.648  -2.445   1.502  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -3.002  -2.498   1.149  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -3.469  -1.649   0.129  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.543  -0.806  -0.509  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -0.929  -3.135   2.436  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -1.272  -3.839   3.079  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -1.188  -0.764  -0.146  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1        0.376  -2.829   2.470  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.913  -1.672  -0.317  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -5.822  -0.477  -0.110  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -6.742  -0.011  -1.202  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -6.794   1.391  -1.150  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -7.546   2.156  -2.016  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -8.285   1.478  -2.986  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -8.254   0.073  -3.060  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -5.992   1.847  -0.102  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -5.881   2.809   0.178  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -7.482  -0.678  -2.166  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -5.404   0.799   0.587  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1       -4.712   0.879   1.588  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -6.051  -1.732   0.681  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  27
ATOM     24  C   LIG    1        4.255   0.039   0.851  0.00  0.00    +0.121 A 
ATOM     25  N   LIG    1        3.112   0.759   0.815  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        1.934   0.126   1.052  0.00  0.00    +0.123 A 
ATOM     27  C   LIG    1        1.809  -1.227   1.323  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        2.991  -1.958   1.391  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        4.214  -1.322   1.158  0.00  0.00    +0.044 A 
BRANCH  24  34
ATOM     30  C   LIG    1        9.056   2.168  -0.358  0.00  0.00    +0.105 C 
ATOM     31  N   LIG    1        7.646   2.220  -0.731  0.00  0.00    -0.302 NA
ATOM     32  C   LIG    1        6.827   2.726   0.396  0.00  0.00    +0.103 C 
ATOM     33  C   LIG    1        5.396   2.146   0.454  0.00  0.00    +0.122 C 
ATOM     34  N   LIG    1        5.465   0.686   0.627  0.00  0.00    -0.313 N 
ATOM     35  C   LIG    1        6.514  -0.006  -0.140  0.00  0.00    +0.122 C 
ATOM     36  C   LIG    1        7.153   0.912  -1.209  0.00  0.00    +0.103 C 
ENDBRANCH  24  34
ENDBRANCH   1  27
TORSDOF 3