REMARK  Name = BDB008599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.434  -0.941  -1.585  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -2.712  -1.778  -1.731  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        2.645  -0.306   1.369  0.00  0.00    -0.346 N 
ATOM      4  C   LIG    1        1.561  -0.950   0.810  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        1.514  -2.227   1.374  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.494  -3.106   0.965  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -0.452  -2.689   0.018  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.416  -1.402  -0.534  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1        2.603  -2.337   2.294  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.946  -3.521   3.123  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        0.622  -0.529  -0.147  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        3.272  -1.131   2.266  0.00  0.00    +0.090 A 
BRANCH   3  13
ATOM     13  C   LIG    1        3.061   1.061   1.102  0.00  0.00    +0.124 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.223   1.172   0.119  0.00  0.00    +0.049 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.865   0.708  -1.290  0.00  0.00    +0.161 C 
BRANCH  15  17
ATOM     16  C   LIG    1        4.989   2.211  -2.752  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        4.964   0.910  -2.180  0.00  0.00    -0.383 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1       -1.748   0.513  -1.506  0.00  0.00    -0.290 N 
ATOM     19  C   LIG    1       -2.257   1.169  -0.370  0.00  0.00    +0.235 C 
ATOM     20  O   LIG    1       -2.338   2.406  -0.343  0.00  0.00    -0.274 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -2.767   0.347   0.841  0.00  0.00    +0.155 C 
ATOM     22  N   LIG    1       -4.242   0.110   0.696  0.00  0.00    -0.303 NA
ATOM     23  H   LIG    1       -4.464  -0.717   1.249  0.00  0.00    +0.123 HD
ATOM     24  C   LIG    1       -4.982   1.232   1.304  0.00  0.00    +0.096 C 
ATOM     25  C   LIG    1       -4.669   1.416   2.811  0.00  0.00    +0.096 C 
ATOM     26  N   LIG    1       -3.383   0.835   3.246  0.00  0.00    -0.313 NA
ATOM     27  H   LIG    1       -3.507  -0.171   3.353  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -2.384   1.053   2.177  0.00  0.00    +0.109 C 
ENDBRANCH  19  21
BRANCH  18  29
ATOM     29  C   LIG    1       -1.524   1.338  -2.698  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1       -1.494   0.832  -4.115  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -0.228   1.318  -3.466  0.00  0.00    +0.024 C 
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 8