REMARK  Name = BDB056461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.187   1.668  -1.154  0.00  0.00    -0.309 N 
ATOM      2  H   LIG    1        1.531   0.823  -0.703  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.027   1.671  -2.518  0.00  0.00    +0.214 C 
ATOM      4  O   LIG    1        0.460   2.572  -3.131  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        1.460   3.034   0.856  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        0.537   2.644  -0.299  0.00  0.00    +0.100 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -0.800   2.093   0.169  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1       -0.892   1.073   1.125  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -2.135   0.561   1.517  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -3.318   1.054   0.950  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -3.231   2.063  -0.018  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -1.985   2.570  -0.406  0.00  0.00    +0.007 A 
BRANCH  10  13
ATOM     13  N   LIG    1       -4.585   0.535   1.345  0.00  0.00    -0.306 N 
ATOM     14  C   LIG    1       -4.833  -0.460   2.269  0.00  0.00    +0.204 A 
ATOM     15  N   LIG    1       -6.115  -0.717   2.414  0.00  0.00    -0.244 NA
ATOM     16  C   LIG    1       -6.743   0.138   1.557  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1       -5.830   0.917   0.888  0.00  0.00    +0.112 A 
ENDBRANCH  10  13
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   3  18
ATOM     18  C   LIG    1        1.545   0.437  -3.236  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.941   0.006  -2.800  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.834  -1.061  -1.736  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        2.841  -2.357  -2.170  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.950  -2.585  -3.148  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1        2.722  -3.433  -1.326  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1        2.738  -4.586  -1.738  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        2.577  -3.107   0.102  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1        2.576  -1.754   0.456  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        2.461  -1.418   1.806  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        2.338  -2.415   2.779  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        2.333  -3.760   2.409  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        2.454  -4.112   1.065  0.00  0.00    +0.015 A 
ATOM     31  N   LIG    1        2.690  -0.723  -0.494  0.00  0.00    -0.234 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6