REMARK  Name = BDB010322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.116   1.786  -0.269  0.00  0.00    +0.201 A 
ATOM      2  N   LIG    1       -0.242   0.772   0.089  0.00  0.00    -0.307 N 
ATOM      3  C   LIG    1        0.863   0.865  -0.730  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        0.577   1.947  -1.548  0.00  0.00    +0.185 A 
ATOM      5  N   LIG    1        1.401   2.423  -2.493  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1        2.555   1.747  -2.553  0.00  0.00    +0.242 A 
ATOM      7  N   LIG    1        2.914   0.677  -1.809  0.00  0.00    -0.205 NA
ATOM      8  C   LIG    1        2.070   0.187  -0.882  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1       -0.651   2.472  -1.284  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.742   1.752   0.008  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1       -3.432   2.339  -0.531  0.00  0.00    +0.073 C 
ATOM     12  N   LIG    1       -2.315   1.959   0.360  0.00  0.00    -0.298 N 
ATOM     13  C   LIG    1       -2.255   2.650   1.666  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1       -2.954   4.009   1.683  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -2.871   4.702   0.336  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1       -3.514   3.858  -0.762  0.00  0.00    +0.022 C 
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  C   LIG    1        3.575   2.202  -3.563  0.00  0.00    +0.375 C 
ATOM     18  O   LIG    1        4.668   1.700  -3.774  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1        3.184   3.281  -4.280  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1        3.936   3.455  -4.880  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   8  21
ATOM     21  N   LIG    1        2.413  -0.938  -0.140  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.620  -1.560  -0.046  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.666  -1.633  -0.463  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1        3.443  -3.136  -0.247  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1        4.785  -1.162   0.469  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        6.214  -1.721   0.207  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.753  -0.355   0.677  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1        5.407   0.243   0.222  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   2  29
ATOM     29  C   LIG    1       -0.478  -0.189   1.151  0.00  0.00    +0.128 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.522  -1.270   0.808  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -1.903  -2.055   2.078  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -2.300  -3.510   1.815  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1       -3.017  -3.720   0.479  0.00  0.00    -0.014 C 
ATOM     34  C   LIG    1       -4.420  -3.107   0.494  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -2.182  -3.192  -0.702  0.00  0.00    +0.003 C 
ATOM     36  C   LIG    1       -1.065  -2.223  -0.300  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 8