REMARK  Name = BDB012110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.657  -0.562   0.480  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.687  -0.332  -0.494  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -0.791   0.758  -1.520  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        0.406  -1.288  -0.400  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.147  -2.235   0.575  0.00  0.00    +0.059 A 
ATOM      6  S   LIG    1       -1.297  -1.951   1.422  0.00  0.00    -0.096 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.638  -1.365  -1.191  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        2.154  -0.150  -1.571  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.792   0.687  -1.131  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.188  -2.433  -1.440  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.447  -0.026  -2.204  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.496   0.209  -1.156  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.459   1.576  -0.537  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        3.595   2.398  -0.833  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        5.428   1.861   0.389  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        5.383   2.788   0.795  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        6.396   0.978   0.797  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        7.363   1.454   1.835  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        6.424  -0.250   0.259  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        5.455  -0.655  -0.752  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        5.634  -2.062  -1.252  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  24
ATOM     22  C   LIG    1       -3.693   2.378   1.786  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -2.683   1.358   1.369  0.00  0.00    -0.025 C 
ATOM     24  C   LIG    1       -2.873   0.168   0.752  0.00  0.00    -0.034 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.236  -0.410   0.355  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -4.974   0.414  -0.719  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1       -6.484   0.456  -0.481  0.00  0.00    +0.081 C 
ATOM     28  N   LIG    1       -7.017  -0.862  -0.149  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1       -6.831  -1.500  -0.923  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -6.432  -1.417   1.076  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1       -5.141  -0.741   1.550  0.00  0.00    +0.023 C 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 5