REMARK  Name = BDB012315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.479  -1.821   0.053  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.819  -1.878  -0.469  0.00  0.00    -0.212 N 
ATOM      3  N   LIG    1        1.177  -3.171  -0.731  0.00  0.00    -0.150 NA
ATOM      4  C   LIG    1        0.180  -3.910  -0.278  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1       -0.865  -3.138   0.233  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -3.741   2.865   0.896  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -2.877   1.658   0.678  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -2.504   0.849   1.758  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.720  -0.289   1.553  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.297  -0.633   0.265  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.699   0.155  -0.820  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -2.483   1.293  -0.614  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   2  13
ATOM     13  C   LIG    1        1.776  -0.829  -0.726  0.00  0.00    +0.155 A 
ATOM     14  N   LIG    1        2.849  -1.138  -1.509  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        3.765  -0.183  -1.767  0.00  0.00    +0.114 A 
ATOM     16  C   LIG    1        3.686   1.099  -1.270  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        2.604   1.407  -0.451  0.00  0.00    +0.064 A 
ATOM     18  C   LIG    1        1.636   0.435  -0.168  0.00  0.00    +0.063 A 
BRANCH  17  19
ATOM     19  C   LIG    1        2.446   2.749   0.157  0.00  0.00    +0.337 C 
ATOM     20  O   LIG    1        1.559   3.087   0.917  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        3.411   3.607  -0.219  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        3.183   4.438   0.250  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   2  13
BRANCH   4  23
ATOM     23  N   LIG    1        0.174  -5.247  -0.322  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        1.066  -5.683  -0.531  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1       -0.398  -5.780   0.320  0.00  0.00    +0.144 HD
ENDBRANCH   4  23
TORSDOF 5