REMARK  Name = BDB004629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.247  -1.457   0.220  0.00  0.00    -0.320 N 
ATOM      2  H   LIG    1        0.118  -0.976   1.038  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.236  -0.661  -0.390  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -2.275  -0.122   0.400  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -3.238   0.660  -0.269  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1       -4.276   1.223   0.505  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1       -4.358   1.003   1.894  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.417   0.219   2.540  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -3.157   0.848  -1.605  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -2.151   0.258  -2.260  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1       -2.385  -0.340   1.798  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1       -1.195  -0.493  -1.719  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1       -5.359   2.081  -0.073  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -6.269   2.522   0.622  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1       -5.318   2.374  -1.403  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       -6.058   2.929  -1.807  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -4.592   1.986  -1.999  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1        0.891  -1.901  -0.611  0.00  0.00    +0.115 C 
BRANCH  18  22
ATOM     19  C   LIG    1        4.000   1.147  -0.548  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        3.133   1.024  -1.633  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        2.142   0.039  -1.647  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.999  -0.852  -0.573  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        2.868  -0.712   0.519  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        3.862   0.276   0.531  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        5.832   2.311   0.419  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        4.923   2.149  -0.662  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  22
BRANCH  18  27
ATOM     27  C   LIG    1        1.348  -3.312  -0.107  0.00  0.00    +0.104 C 
BRANCH  27  28
ATOM     28  N   LIG    1        1.272  -3.505   1.357  0.00  0.00    -0.328 NA
ATOM     29  H   LIG    1        1.372  -4.499   1.560  0.00  0.00    +0.118 HD
ATOM     30  H   LIG    1        0.318  -3.256   1.628  0.00  0.00    +0.118 HD
ENDBRANCH  27  28
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 7