REMARK  Name = BDB047337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.294   2.386  -0.279  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.205   1.624   0.682  0.00  0.00    +0.070 C 
BRANCH   2  12
ATOM      3  O   LIG    1        5.537   3.208  -0.029  0.00  0.00    -0.273 OA
ATOM      4  C   LIG    1        4.683   2.367  -0.299  0.00  0.00    +0.245 C 
ATOM      5  C   LIG    1        4.956   1.291  -1.341  0.00  0.00    +0.123 C 
ATOM      6  C   LIG    1        4.219   0.013  -0.981  0.00  0.00    +0.087 C 
ATOM      7  C   LIG    1        4.903  -0.772   0.136  0.00  0.00    +0.051 C 
ATOM      8  C   LIG    1        6.365  -0.984  -0.216  0.00  0.00    +0.161 C 
ATOM      9  O   LIG    1        7.002   0.271  -0.424  0.00  0.00    -0.379 OA
ATOM     10  N   LIG    1        2.856   0.330  -0.620  0.00  0.00    -0.331 N 
ATOM     11  H   LIG    1        2.222  -0.454  -0.493  0.00  0.00    +0.147 HD
ATOM     12  C   LIG    1        2.588   1.477   0.076  0.00  0.00    +0.088 C 
ATOM     13  C   LIG    1        6.448   1.019  -1.508  0.00  0.00    +0.174 C 
ATOM     14  N   LIG    1        3.420   2.451   0.240  0.00  0.00    -0.170 NA
ENDBRANCH   2  12
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.126   2.559   0.270  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.813   1.285   0.536  0.00  0.00    -0.298 NA
ATOM     17  C   LIG    1       -2.232   0.606  -0.700  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.811  -0.786  -0.387  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -3.823  -0.752   0.733  0.00  0.00    -0.042 C 
ATOM     20  C   LIG    1       -3.884   0.322   1.542  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1       -2.982   1.516   1.402  0.00  0.00    +0.112 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.719  -1.914   0.907  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -6.090  -1.738   1.154  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -6.939  -2.838   1.301  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.430  -4.131   1.200  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.074  -4.323   0.949  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.226  -3.222   0.801  0.00  0.00    +0.008 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5