REMARK  Name = BDB027842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.117   0.388   0.039  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.112   1.733  -0.344  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.442   2.103  -0.614  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.653   3.421  -0.990  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.702   4.382  -1.122  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.558   4.001  -0.859  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.484   1.253  -0.521  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        2.260  -0.026  -0.142  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -0.896   2.715  -0.474  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.978  -0.480   0.137  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.191  -1.817  -1.256  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.305  -0.365  -0.781  0.00  0.00    +0.070 C 
ATOM     13  N   LIG    1       -1.373  -0.160   0.344  0.00  0.00    -0.327 N 
ATOM     14  C   LIG    1       -1.915   0.203   1.656  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1       -3.071  -0.734   1.991  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -4.179  -0.697   0.938  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -3.746  -0.028  -0.367  0.00  0.00    +0.022 C 
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  C   LIG    1        3.459  -0.886  -0.059  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        4.581  -0.631  -0.863  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        5.693  -1.453  -0.769  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        5.776  -2.508   0.066  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        4.702  -2.742   0.845  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        3.545  -1.975   0.820  0.00  0.00    +0.030 A 
ENDBRANCH   8  18
TORSDOF 2