REMARK  Name = BDB060299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.291  -2.841   0.450  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        0.260  -1.919   0.575  0.00  0.00    -0.166 N 
ATOM      3  C   LIG    1       -1.073  -2.161   0.947  0.00  0.00    +0.258 C 
ATOM      4  O   LIG    1       -1.407  -3.296   1.287  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1        0.733  -0.673   0.313  0.00  0.00    -0.139 NA
ATOM      6  C   LIG    1        2.027  -0.897   0.026  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        2.396  -2.220   0.129  0.00  0.00    -0.192 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.026  -0.977   0.938  0.00  0.00    +0.110 C 
ATOM      9  C   LIG    1       -2.154  -0.264  -0.403  0.00  0.00    -0.032 A 
ATOM     10  C   LIG    1       -2.179   1.142  -0.477  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1       -2.283   1.768  -1.729  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.405   1.011  -2.893  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.425  -0.377  -2.820  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.050   1.997   0.758  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1       -2.502   1.262   2.017  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1       -2.307  -1.012  -1.584  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -1.760  -0.061   2.146  0.00  0.00    +0.018 C 
ENDBRANCH   3   8
BRANCH   6  18
ATOM     18  C   LIG    1        2.967   0.166  -0.358  0.00  0.00    +0.110 A 
ATOM     19  N   LIG    1        4.286  -0.160  -0.413  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1        5.153   0.813  -0.767  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        4.776   2.110  -1.071  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        3.426   2.432  -1.011  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        2.506   1.450  -0.650  0.00  0.00    +0.031 A 
ENDBRANCH   6  18
BRANCH   1  24
ATOM     24  N   LIG    1        1.152  -4.169   0.628  0.00  0.00    -0.327 N 
ATOM     25  H   LIG    1        2.000  -4.709   0.768  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        0.330  -4.531   1.114  0.00  0.00    +0.145 HD
ENDBRANCH   1  24
TORSDOF 3