REMARK  Name = BDB064002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.068  -0.441  -3.505  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.895  -0.487  -2.304  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.885  -0.311  -1.208  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.174  -0.045  -1.456  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.260  -0.492   0.008  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.014  -0.726  -0.290  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1       -0.250  -0.730  -1.620  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.126  -0.967  -2.051  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.241   0.128  -0.458  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.530  -0.327  -0.781  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.571  -0.140   0.147  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.363   0.496   1.372  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.482   0.609   2.182  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.514   0.067   1.578  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.071   0.963   1.678  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        8.228  -0.601   0.028  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.028   0.780   0.760  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.938  -0.997   0.642  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -0.572  -1.070   1.586  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.317  -0.716   0.605  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -2.894   0.195  -0.291  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -4.269   0.380  -0.277  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.087   1.278  -1.154  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1       -6.408   1.335  -0.374  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -6.528   0.007   0.388  0.00  0.00    +0.036 C 
ATOM     26  C   LIG    1       -5.087  -0.336   0.599  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1       -4.548  -1.251   1.482  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -3.161  -1.432   1.483  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3