REMARK  Name = BDB049777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.242   1.601   0.530  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1       -4.373   0.917   0.351  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1       -4.282  -0.394   0.111  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -3.062  -1.069   0.061  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -3.043  -2.460  -0.224  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -4.228  -3.167  -0.437  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1       -5.451  -2.483  -0.362  0.00  0.00    +0.164 A 
ATOM      8  C   LIG    1       -1.930  -0.271   0.297  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1       -5.455  -1.109  -0.095  0.00  0.00    +0.078 A 
ATOM     10  N   LIG    1       -2.028   1.050   0.521  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.408   3.545   1.628  0.00  0.00    +0.128 C 
ATOM     12  N   LIG    1       -3.395   2.963   0.746  0.00  0.00    -0.316 N 
ATOM     13  H   LIG    1       -4.361   3.099   1.020  0.00  0.00    +0.149 HD
ENDBRANCH   1  12
BRANCH   7  14
ATOM     14  O   LIG    1       -6.578  -3.238  -0.571  0.00  0.00    -0.491 OA
ATOM     15  C   LIG    1       -7.834  -2.575  -0.535  0.00  0.00    +0.277 C 
ENDBRANCH   7  14
BRANCH   6  16
ATOM     16  O   LIG    1       -4.295  -4.508  -0.710  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1       -3.078  -5.194  -0.970  0.00  0.00    +0.277 C 
ENDBRANCH   6  16
BRANCH   8  18
ATOM     18  N   LIG    1       -0.647  -0.888   0.321  0.00  0.00    -0.299 N 
ATOM     19  H   LIG    1       -0.665  -1.647   0.995  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.620  -0.266   0.282  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        0.849   0.949  -0.369  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        2.136   1.504  -0.447  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        3.244   0.846   0.102  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        3.016  -0.394   0.719  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        1.730  -0.946   0.796  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        4.624   1.375   0.055  0.00  0.00    +0.109 A 
ATOM     27  S   LIG    1        4.991   2.920  -0.617  0.00  0.00    -0.067 S 
ATOM     28  C   LIG    1        6.658   2.700  -0.266  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        6.829   1.459   0.346  0.00  0.00    +0.079 A 
ATOM     30  C   LIG    1        8.128   1.063   0.726  0.00  0.00    +0.029 A 
ATOM     31  C   LIG    1        9.213   1.913   0.485  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        9.018   3.147  -0.126  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.739   3.562  -0.512  0.00  0.00    +0.017 A 
ATOM     34  N   LIG    1        5.672   0.722   0.522  0.00  0.00    -0.239 NA
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 6