REMARK  Name = BDB021538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.036   0.612  -0.287  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1       -3.350  -0.577  -0.030  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -1.978  -0.610   0.333  0.00  0.00    +0.045 A 
ATOM      4  N   LIG    1       -1.358  -1.836   0.595  0.00  0.00    -0.331 N 
ATOM      5  C   LIG    1       -0.672  -1.869   1.888  0.00  0.00    +0.123 C 
ATOM      6  C   LIG    1        0.753  -1.379   1.712  0.00  0.00    +0.127 C 
ATOM      7  N   LIG    1        0.909   0.067   1.576  0.00  0.00    -0.293 N 
ATOM      8  C   LIG    1        0.162   0.854   0.689  0.00  0.00    +0.249 C 
ATOM      9  O   LIG    1        0.676   1.867   0.195  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.964  -3.091   0.164  0.00  0.00    +0.129 C 
ATOM     11  C   LIG    1       -1.294   0.624   0.399  0.00  0.00    +0.058 A 
ATOM     12  C   LIG    1       -2.000   1.817   0.106  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -3.350   1.812  -0.236  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  14
ATOM     14  O   LIG    1       -5.353   0.700  -0.643  0.00  0.00    -0.487 OA
BRANCH  14  18
ATOM     15  C   LIG    1       -9.824   0.304   1.070  0.00  0.00    +0.105 C 
ATOM     16  N   LIG    1       -8.693  -0.349   0.415  0.00  0.00    -0.302 NA
ATOM     17  C   LIG    1       -7.513   0.520   0.383  0.00  0.00    +0.128 C 
ATOM     18  C   LIG    1       -6.250  -0.259  -0.057  0.00  0.00    +0.187 C 
ATOM     19  C   LIG    1       -6.584  -1.346  -1.094  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -7.850  -0.997  -1.870  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -9.056  -0.803  -0.937  0.00  0.00    +0.084 C 
ENDBRANCH  14  18
ENDBRANCH   1  14
BRANCH   7  22
ATOM     22  C   LIG    1        2.255   0.573   1.894  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.310   0.216   0.830  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1        3.770  -1.132   1.044  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1        4.642  -1.159   0.596  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1        4.529   1.161   0.924  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.652   0.684   0.080  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        6.898   1.373   0.482  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1        8.080   1.065  -0.413  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        7.888   0.589  -1.722  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1        8.996   0.336  -2.541  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       10.287   0.580  -2.074  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       10.482   1.071  -0.784  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.496   0.284  -2.213  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1        9.384   1.315   0.042  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1        5.407   0.942  -1.353  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 7