REMARK  Name = BDB047323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.807   0.344  -1.552  0.00  0.00    +0.070 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -7.598   0.417   0.148  0.00  0.00    +0.007 C 
ATOM      3  C   LIG    1       -6.861  -0.775   0.766  0.00  0.00    -0.013 C 
ATOM      4  C   LIG    1       -6.062  -1.558  -0.291  0.00  0.00    +0.018 C 
ATOM      5  C   LIG    1       -4.804  -0.812  -0.744  0.00  0.00    +0.097 C 
ATOM      6  C   LIG    1       -3.924  -0.470   0.451  0.00  0.00    +0.083 C 
ATOM      7  N   LIG    1       -2.770   0.243  -0.051  0.00  0.00    -0.331 N 
ATOM      8  H   LIG    1       -2.168   0.689   0.636  0.00  0.00    +0.147 HD
ATOM      9  C   LIG    1       -2.177  -0.206  -1.205  0.00  0.00    +0.088 C 
ATOM     10  N   LIG    1       -2.694  -1.084  -2.004  0.00  0.00    -0.170 NA
ATOM     11  C   LIG    1       -4.683   0.377   1.469  0.00  0.00    +0.023 C 
ATOM     12  C   LIG    1       -3.927  -1.615  -1.690  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1       -4.327  -2.664  -2.189  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1       -5.957  -0.335   1.929  0.00  0.00    +0.005 C 
ENDBRANCH   1   9
BRANCH   1  15
ATOM     15  C   LIG    1        0.278  -0.599  -1.032  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.693  -0.104  -1.354  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.996   1.201  -0.741  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        3.111   1.876  -1.432  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1        4.472   1.168  -1.287  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        4.712   0.674   0.119  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1        3.712   0.670   1.020  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1        2.307   1.098   0.696  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1        6.066   0.225   0.488  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        7.182   1.046   0.275  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        8.464   0.609   0.620  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        8.645  -0.654   1.180  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.545  -1.481   1.397  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.263  -1.044   1.053  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5