REMARK  Name = BDB060440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.174  -0.917   0.175  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.326   0.064  -0.022  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.294  -1.723   0.273  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        1.318  -2.944   0.368  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -4.955   3.966  -1.173  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -5.175   2.652  -0.618  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -5.641   2.642   0.277  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -4.177   1.697  -0.722  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.515   0.454  -0.148  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.526  -0.588   0.038  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.923  -1.920   0.272  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -2.958  -2.928   0.431  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.597  -2.629   0.401  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.179  -1.318   0.211  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -5.372  -2.316   0.320  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -6.206  -1.145   0.793  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.147  -0.313   0.045  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -5.930   0.052  -0.097  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -3.120   1.969  -1.286  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        2.595  -0.996   0.220  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.683  -1.620  -0.397  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        4.921  -0.973  -0.464  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        5.102   0.304   0.092  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        4.003   0.911   0.725  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.761   0.268   0.795  0.00  0.00    +0.013 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.405   0.983   0.024  0.00  0.00    -0.015 A 
ATOM     27  C   LIG    1        7.571   0.361   0.488  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        8.776   1.042   0.406  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1        8.903   2.284  -0.104  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        7.774   2.871  -0.550  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        6.524   2.273  -0.507  0.00  0.00    +0.028 A 
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 3