REMARK  Name = BDB002101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.131  -0.354   0.043  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        2.460  -0.553   0.034  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        3.172   0.219  -0.800  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        4.612   0.049  -0.821  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1        5.400  -0.915  -0.268  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1        4.982  -2.060   0.508  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1        6.719  -0.733  -0.519  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1        6.771   0.403  -1.252  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1        5.470   0.917  -1.468  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.973   2.135  -2.168  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.492   1.972  -2.599  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        2.638   1.191  -1.630  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        1.274   1.302  -1.559  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        0.516   0.553  -0.736  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        8.050   0.963  -1.713  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        8.156   1.998  -2.364  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        9.143   0.228  -1.351  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        8.998  -0.599  -0.783  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       10.068   0.549  -1.587  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1        0.426  -1.163   0.922  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        1.048  -1.782   1.425  0.00  0.00    +0.155 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -1.254  -2.292   2.239  0.00  0.00    +0.141 A 
ATOM     23  C   LIG    1       -0.927  -1.315   1.275  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1       -1.965  -0.549   0.719  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -3.315  -0.709   1.082  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -3.591  -1.694   2.039  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -2.583  -2.477   2.615  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  N   LIG    1       -4.327   0.050   0.514  0.00  0.00    -0.327 N 
ATOM     29  C   LIG    1       -4.109   0.834  -0.714  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1       -5.458   1.130  -1.409  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -6.408   1.913  -0.588  0.00  0.00    -0.302 NA
ATOM     32  C   LIG    1       -7.783   1.639  -0.995  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1       -6.201   1.665   0.854  0.00  0.00    +0.103 C 
ATOM     34  C   LIG    1       -5.595   0.289   1.224  0.00  0.00    +0.120 C 
ENDBRANCH  25  28
BRANCH  22  36
ATOM     35  C   LIG    1       -0.472  -3.989   3.724  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1       -0.187  -3.004   2.739  0.00  0.00    -0.493 OA
ENDBRANCH  22  36
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5