REMARK  Name = BDB017313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.195   0.188   0.375  0.00  0.00    +0.143 C 
ATOM      2  N   LIG    1       -1.663   0.432   0.268  0.00  0.00    -0.286 NA
ATOM      3  C   LIG    1       -2.251  -0.352  -0.835  0.00  0.00    +0.101 C 
ATOM      4  C   LIG    1       -1.911  -1.858  -0.733  0.00  0.00    +0.100 C 
ATOM      5  N   LIG    1       -0.456  -2.113  -0.622  0.00  0.00    -0.296 NA
ATOM      6  C   LIG    1        0.060  -1.337   0.528  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.221  -3.547  -0.399  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1       -0.468  -4.336  -1.713  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1        0.818  -5.123  -1.385  0.00  0.00    +0.003 C 
ATOM     10  C   LIG    1        1.284  -3.874  -0.607  0.00  0.00    +0.019 C 
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1        0.639   0.774  -0.792  0.00  0.00    +0.181 C 
ATOM     12  O   LIG    1        0.181   1.440  -1.721  0.00  0.00    -0.290 OA
BRANCH  11  18
ATOM     13  C   LIG    1        7.038  -0.003   0.279  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        6.270  -0.103  -0.884  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        4.884   0.120  -0.865  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.255   0.450   0.357  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        2.868   0.672   0.384  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        2.110   0.557  -0.788  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.736   0.249  -1.998  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        5.035   0.552   1.519  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.113   0.026  -2.034  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        6.416   0.326   1.481  0.00  0.00    +0.046 A 
BRANCH  13  24
ATOM     23  C   LIG    1        9.202  -0.147   1.255  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        8.373  -0.248   0.105  0.00  0.00    -0.495 OA
ENDBRANCH  13  24
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   2  25
ATOM     25  C   LIG    1       -2.020   1.853   0.196  0.00  0.00    +0.120 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.450   2.108   0.632  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -4.367   2.705  -0.246  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -5.694   2.955   0.144  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1       -6.111   2.599   1.447  0.00  0.00    -0.018 A 
ATOM     30  C   LIG    1       -7.437   2.848   1.836  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -8.341   3.441   0.952  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -7.930   3.791  -0.331  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -5.191   2.004   2.323  0.00  0.00    +0.009 A 
ATOM     34  C   LIG    1       -6.616   3.550  -0.733  0.00  0.00    +0.008 A 
ATOM     35  C   LIG    1       -3.876   1.762   1.920  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6