REMARK  Name = BDB042678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.781   0.274  -0.985  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1        1.961   0.052  -2.258  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        0.501   0.470  -2.050  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1        0.333   1.602  -1.122  0.00  0.00    -0.302 NA
ATOM      5  C   LIG    1        1.501   2.485  -1.142  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        2.721   1.755  -0.575  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        4.173  -0.128  -1.229  0.00  0.00    -0.341 N 
ATOM      8  H   LIG    1        4.305  -0.646  -2.094  0.00  0.00    +0.146 HD
BRANCH   7  12
ATOM      9  C   LIG    1        6.874  -1.431   1.745  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        5.665  -0.847   2.125  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        4.750  -0.421   1.153  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        5.006  -0.591  -0.212  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        6.242  -1.150  -0.573  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        7.164  -1.578   0.389  0.00  0.00    +0.020 A 
BRANCH   9  16
ATOM     15  N   LIG    1        8.573  -2.217   3.541  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        7.812  -1.865   2.737  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -0.909   2.349  -1.373  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.189   1.530  -1.147  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.306   1.002   0.290  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.570   0.238   0.629  0.00  0.00    +0.021 A 
ATOM     21  N   LIG    1       -3.659  -0.198   1.937  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -2.905   0.003   2.585  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -4.712  -0.910   2.470  0.00  0.00    +0.258 A 
ATOM     24  O   LIG    1       -4.729  -1.268   3.641  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -5.822  -1.220   1.551  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1       -5.740  -0.785   0.234  0.00  0.00    +0.078 A 
ATOM     27  N   LIG    1       -6.706  -1.019  -0.687  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1       -7.789  -1.714  -0.265  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -7.953  -2.185   1.031  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -6.947  -1.933   1.960  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1       -4.572  -0.036  -0.223  0.00  0.00    +0.049 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7