REMARK  Name = BDB043455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.266   0.722  -0.461  0.00  0.00    -0.341 N 
ATOM      2  H   LIG    1       -0.385  -0.017  -0.751  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1        5.194   1.142   0.156  0.00  0.00    +0.067 C 
ATOM      4  C   LIG    1        4.021   0.393  -0.428  0.00  0.00    +0.061 A 
ATOM      5  N   LIG    1        4.271  -0.666  -1.135  0.00  0.00    -0.169 NA
ATOM      6  N   LIG    1        3.141  -1.258  -1.612  0.00  0.00    -0.198 N 
ATOM      7  C   LIG    1        1.834  -0.865  -1.425  0.00  0.00    +0.198 A 
ATOM      8  N   LIG    1        1.030  -1.713  -2.041  0.00  0.00    -0.126 NA
ATOM      9  N   LIG    1        1.814  -2.674  -2.646  0.00  0.00    -0.136 NA
ATOM     10  C   LIG    1        1.581   0.302  -0.645  0.00  0.00    +0.075 A 
ATOM     11  C   LIG    1        3.068  -2.385  -2.379  0.00  0.00    +0.249 A 
ATOM     12  C   LIG    1        2.658   0.934  -0.146  0.00  0.00    +0.051 A 
ENDBRANCH   1  10
BRANCH   1  13
ATOM     13  C   LIG    1       -0.230   1.522   0.652  0.00  0.00    +0.106 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.701   1.911   0.446  0.00  0.00    +0.054 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.656   0.746   0.570  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1       -3.020   0.254   1.833  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -3.894  -0.829   1.948  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -4.403  -1.423   0.797  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1       -4.053  -0.951  -0.461  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1       -3.180   0.133  -0.576  0.00  0.00    +0.007 A 
BRANCH  18  21
ATOM     21  O   LIG    1       -5.259  -2.482   0.864  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1       -5.386  -2.720   1.796  0.00  0.00    +0.292 HD
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5