REMARK  Name = BDB043198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.529   2.159  -0.582  0.00  0.00    +0.130 A 
ATOM      2  N   LIG    1        0.554   1.620  -0.006  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1        0.536   0.298   0.198  0.00  0.00    +0.157 A 
ATOM      4  N   LIG    1       -0.470  -0.526  -0.126  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -1.556   0.011  -0.700  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1       -1.604   1.370  -0.960  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -2.604  -0.826  -1.069  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -2.374  -2.271  -0.907  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.568  -3.072  -1.475  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.889  -2.743  -0.891  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -5.365  -3.796   0.000  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -4.860  -1.442  -0.191  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -3.994  -0.369  -0.892  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1       -0.586   3.538  -0.880  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -1.518   3.912  -0.755  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1        3.740   5.983  -0.690  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1        2.335   5.526  -0.723  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1        1.278   6.388  -0.663  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        1.300   7.400  -0.591  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1        0.082   5.783  -0.716  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1        0.374   4.481  -0.793  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1        1.772   4.272  -0.813  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  C   LIG    1        1.732  -0.267   0.829  0.00  0.00    +0.049 C 
ATOM     24  C   LIG    1        1.902  -1.571   1.106  0.00  0.00    +0.011 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.102  -2.126   1.747  0.00  0.00    -0.025 A 
ATOM     26  C   LIG    1        4.391  -1.658   1.458  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        5.509  -2.233   2.068  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.351  -3.288   2.964  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.076  -3.772   3.248  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        2.958  -3.198   2.638  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH   3  23
TORSDOF 5