REMARK  Name = BDB029377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.166   0.239  -1.005  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.050   0.771  -0.340  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.227   0.690  -0.909  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.406   0.111  -2.168  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.309  -0.422  -2.840  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.962  -0.362  -2.260  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  15
ATOM      7  O   LIG    1       -7.625  -1.833   1.430  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -6.638  -1.189   1.115  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1       -5.490  -1.702   0.523  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -5.380  -2.680   0.302  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.555  -0.705   0.294  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -5.056   0.517   0.733  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1       -4.304   1.667   0.613  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -3.030   1.558   0.041  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -2.511   0.316  -0.409  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -3.305  -0.838  -0.273  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1       -6.432   0.320   1.295  0.00  0.00    +0.133 C 
ENDBRANCH   1  15
BRANCH   3  18
ATOM     18  C   LIG    1        2.367   1.288  -0.178  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        3.501   0.518   0.048  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1        3.564  -0.945  -0.078  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1        4.528  -1.569   0.947  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1        5.904  -1.051   0.877  0.00  0.00    -0.313 NA
ATOM     23  H   LIG    1        6.340  -1.153   1.793  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        5.952   0.361   0.459  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1        4.654   1.157   0.681  0.00  0.00    +0.123 C 
ATOM     26  O   LIG    1        2.257   2.452   0.201  0.00  0.00    -0.270 OA
ENDBRANCH   3  18
TORSDOF 2