REMARK  Name = BDB045675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.413   1.463  -2.111  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        1.517   0.690  -2.141  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        2.526   1.015  -2.968  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        2.474   2.091  -3.768  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        1.366   2.848  -3.719  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1        0.299   2.577  -2.905  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.579   1.031  -1.227  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1       -0.230   0.201  -0.765  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1       -3.797   1.581   0.080  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1       -3.585   2.638  -0.760  0.00  0.00    -0.279 N 
ATOM     11  H   LIG    1       -4.200   3.422  -0.951  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1       -2.416   2.585  -1.412  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1       -1.801   1.507  -0.921  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1       -2.631   0.847   0.019  0.00  0.00    +0.069 A 
BRANCH   9  18
ATOM     15  N   LIG    1       -5.553   0.488   2.956  0.00  0.00    -0.301 N 
ATOM     16  C   LIG    1       -4.833   1.518   2.354  0.00  0.00    +0.225 C 
ATOM     17  O   LIG    1       -4.190   2.380   2.932  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.062   1.421   0.851  0.00  0.00    +0.125 C 
ATOM     19  C   LIG    1       -5.698   0.037   0.687  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -6.403  -0.187   2.010  0.00  0.00    +0.109 C 
BRANCH  15  22
ATOM     21  C   LIG    1       -6.946   1.275   4.840  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -5.776   0.417   4.389  0.00  0.00    +0.104 C 
ENDBRANCH  15  22
ENDBRANCH   9  18
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  N   LIG    1        3.678   0.235  -2.970  0.00  0.00    -0.302 N 
ATOM     24  C   LIG    1        4.601   0.496  -4.065  0.00  0.00    +0.132 C 
BRANCH  23  25
ATOM     25  C   LIG    1        3.556  -1.149  -2.511  0.00  0.00    +0.111 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.622  -1.459  -1.437  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        4.624  -2.963  -1.081  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1        3.810  -3.258   0.177  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        4.357  -2.518   1.410  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        5.066  -1.204   1.043  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1        4.432  -0.569  -0.191  0.00  0.00    +0.006 C 
BRANCH  29  32
ATOM     32  N   LIG    1        5.286  -3.367   2.158  0.00  0.00    -0.327 NA
ATOM     33  H   LIG    1        5.616  -2.867   2.983  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1        4.797  -4.194   2.497  0.00  0.00    +0.118 HD
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 8