REMARK  Name = BDB041200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.706   0.692   2.596  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -1.446  -0.150   1.505  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1       -2.323  -0.284   0.488  0.00  0.00    -0.207 NA
ATOM      4  C   LIG    1       -3.463   0.412   0.562  0.00  0.00    +0.181 A 
ATOM      5  N   LIG    1       -3.815   1.240   1.554  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -2.917   1.357   2.553  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.410   0.226  -0.515  0.00  0.00    +0.124 A 
ATOM      8  N   LIG    1       -5.153   1.231  -1.102  0.00  0.00    -0.257 N 
ATOM      9  N   LIG    1       -6.004   0.781  -2.058  0.00  0.00    -0.177 NA
ATOM     10  C   LIG    1       -5.756  -0.528  -2.113  0.00  0.00    +0.155 A 
ATOM     11  C   LIG    1       -4.778  -0.924  -1.189  0.00  0.00    +0.089 A 
ATOM     12 CL   LIG    1       -4.243  -2.520  -0.972  0.00  0.00    -0.080 Cl
BRANCH   8  13
ATOM     13  C   LIG    1       -5.104   2.670  -0.837  0.00  0.00    +0.102 C 
ATOM     14  C   LIG    1       -5.024   3.495  -2.126  0.00  0.00    +0.032 C 
ATOM     15  C   LIG    1       -6.293   3.105   0.018  0.00  0.00    +0.032 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1       -1.025   1.721   4.633  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -0.769   0.797   3.584  0.00  0.00    -0.490 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1       -0.229  -0.894   1.457  0.00  0.00    -0.315 N 
ATOM     19  C   LIG    1       -0.359  -2.060   2.341  0.00  0.00    +0.131 C 
BRANCH  18  20
ATOM     20  C   LIG    1        0.164  -1.216   0.071  0.00  0.00    +0.110 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.670  -1.524  -0.024  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        2.523  -0.309   0.379  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        4.014  -0.586   0.192  0.00  0.00    +0.107 C 
ATOM     24  N   LIG    1        4.271  -1.000  -1.197  0.00  0.00    -0.315 N 
ATOM     25  C   LIG    1        3.533  -2.209  -1.592  0.00  0.00    +0.107 C 
ATOM     26  C   LIG    1        2.031  -1.954  -1.454  0.00  0.00    +0.024 C 
BRANCH  24  27
ATOM     27  C   LIG    1        5.658  -1.116  -1.454  0.00  0.00    +0.121 A 
ATOM     28  N   LIG    1        6.202  -2.323  -1.726  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        7.529  -2.387  -1.975  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        8.370  -1.290  -1.976  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.813  -0.050  -1.710  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        6.446   0.038  -1.451  0.00  0.00    +0.043 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7