REMARK  Name = BDB043761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.433  -1.835  -1.020  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1       -0.466  -1.463  -1.964  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.519  -2.782  -0.722  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1        0.508  -3.425   0.328  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.520  -1.493  -0.099  0.00  0.00    +0.102 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.730  -2.454  -0.316  0.00  0.00    +0.135 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -2.310  -3.822  -0.202  0.00  0.00    -0.390 OA
ATOM      8  H   LIG    1       -1.477  -3.848   0.311  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -3.874  -2.217   0.682  0.00  0.00    +0.033 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.019  -3.227   0.515  0.00  0.00    +0.002 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -6.987  -1.746   1.185  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.172  -2.994   1.495  0.00  0.00    -0.003 C 
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
BRANCH   5  13
ATOM     13  C   LIG    1       -1.882  -0.002  -0.253  0.00  0.00    +0.028 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.682   0.969  -0.104  0.00  0.00    -0.009 C 
ATOM     15  C   LIG    1       -1.124   2.432  -0.318  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1       -1.308   3.183   0.996  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -0.011   3.232   1.806  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1        0.871   1.999   1.614  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1        0.050   0.773   1.239  0.00  0.00    +0.003 C 
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   5
BRANCH   3  20
ATOM     20  C   LIG    1        1.595  -2.965  -1.771  0.00  0.00    +0.172 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.287  -1.670  -1.985  0.00  0.00    +0.147 A 
ATOM     22  N   LIG    1        3.056  -1.028  -1.044  0.00  0.00    -0.283 N 
ATOM     23  C   LIG    1        3.430   0.147  -1.631  0.00  0.00    +0.183 A 
ATOM     24  C   LIG    1        4.239   1.071  -0.886  0.00  0.00    +0.086 A 
ATOM     25  N   LIG    1        4.605   0.800   0.342  0.00  0.00    -0.252 NA
ATOM     26  C   LIG    1        4.204  -0.408   0.907  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        4.658  -0.642   2.320  0.00  0.00    +0.067 C 
ATOM     28  N   LIG    1        2.941   0.238  -2.844  0.00  0.00    -0.128 NA
ATOM     29  C   LIG    1        3.450  -1.315   0.249  0.00  0.00    +0.117 A 
ATOM     30  N   LIG    1        2.217  -0.915  -3.070  0.00  0.00    -0.133 NA
BRANCH  24  31
ATOM     31  C   LIG    1        4.642   2.380  -1.523  0.00  0.00    +0.059 C 
BRANCH  31  32
ATOM     32  C   LIG    1        3.561   3.435  -1.301  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1        3.894   4.735  -2.015  0.00  0.00    +0.004 C 
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 12