REMARK  Name = BDB002308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.217  -1.737   0.793  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.238  -1.973   1.730  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.069  -1.145   2.016  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        0.492  -1.756   3.298  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.195  -3.242   3.122  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.145  -3.260   2.398  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -3.016  -2.625   0.461  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.974  -1.217   0.879  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.992  -0.299   1.002  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        1.933   0.428   1.701  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.908  -2.017  -0.049  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.006  -0.141  -0.028  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        4.200   0.574   0.581  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        4.468   1.929   0.309  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        5.562   2.552   0.929  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        6.370   1.848   1.823  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.103   0.513   2.097  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        3.659   2.706  -0.703  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        2.288   2.088  -0.973  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1        5.023  -0.121   1.483  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        2.442   0.598  -1.252  0.00  0.00    +0.027 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -2.326  -0.328   0.160  0.00  0.00    +0.162 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.313   0.285  -2.255  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -2.697  -0.552  -1.236  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1       -3.143  -1.442  -1.440  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1       -1.702   1.334  -2.066  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -2.695  -0.232  -3.656  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -1.666  -1.272  -4.090  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -3.864   1.742  -4.460  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -2.717   0.861  -4.648  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -1.862   1.410  -4.515  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -3.361   0.588   0.861  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -2.862   1.097   2.213  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -4.737  -0.062   1.030  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7