REMARK  Name = BDB011903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.140  -1.061  -1.074  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.537  -1.922  -0.246  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1        2.002  -1.833  -0.082  0.00  0.00    +0.193 C 
ATOM      4  C   LIG    1        2.352  -3.163   0.528  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        1.185  -3.877   0.831  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1        1.244  -5.132   1.414  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        2.501  -5.675   1.687  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        3.672  -4.963   1.379  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        3.603  -3.696   0.796  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.022  -3.087   0.441  0.00  0.00    +0.144 C 
ATOM     11  O   LIG    1        0.463  -0.163  -1.676  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        2.355  -0.630   0.830  0.00  0.00    +0.238 C 
ATOM     13  N   LIG    1        2.320   0.590   0.177  0.00  0.00    -0.309 N 
ATOM     14  H   LIG    1        1.802   0.608  -0.703  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        2.611  -0.718   2.030  0.00  0.00    -0.273 OA
BRANCH  13  16
ATOM     16  C   LIG    1        2.374   1.816   0.933  0.00  0.00    +0.139 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.389   3.018   0.028  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        3.571   3.738  -0.186  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.580   4.849  -1.033  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.410   5.244  -1.679  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        1.231   4.528  -1.484  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        1.220   3.419  -0.637  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   3  12
BRANCH   1  23
ATOM     23  C   LIG    1       -1.682  -1.140  -1.130  0.00  0.00    +0.162 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.410   0.006   0.948  0.00  0.00    +0.230 C 
ATOM     25  N   LIG    1       -2.122   0.044  -0.399  0.00  0.00    -0.302 N 
ATOM     26  H   LIG    1       -1.825   0.960  -0.733  0.00  0.00    +0.150 HD
ATOM     27  O   LIG    1       -2.563  -1.045   1.565  0.00  0.00    -0.274 OA
BRANCH  24  28
ATOM     28  C   LIG    1       -2.465   1.404   1.615  0.00  0.00    +0.137 C 
ATOM     29  C   LIG    1       -3.617   1.448   2.616  0.00  0.00    +0.034 C 
BRANCH  28  31
ATOM     30  C   LIG    1       -2.278   3.783   1.085  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -2.569   2.452   0.565  0.00  0.00    -0.309 NA
ATOM     32  H   LIG    1       -3.520   2.441   0.191  0.00  0.00    +0.122 HD
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH  23  25
BRANCH  23  33
ATOM     33  C   LIG    1       -2.182  -1.109  -2.590  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -1.690  -2.338  -3.364  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -3.713  -1.057  -2.652  0.00  0.00    +0.009 C 
ENDBRANCH  23  33
ENDBRANCH   1  23
TORSDOF 8