REMARK  Name = BDB004482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.581  -0.339   0.907  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -1.346  -0.213  -0.319  0.00  0.00    +0.189 C 
ATOM      3  C   LIG    1       -1.982  -1.572  -0.449  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -1.603  -2.371   0.629  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.032  -3.676   0.783  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.877  -4.192  -0.201  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.263  -3.403  -1.300  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.814  -2.084  -1.432  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.716  -1.585   1.491  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -0.211  -1.993   2.520  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -2.361   0.925  -0.290  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.400   1.894  -1.309  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -3.332   2.935  -1.279  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -4.242   3.020  -0.229  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -5.389   4.301  -0.192  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -4.227   2.073   0.791  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -3.295   1.033   0.761  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   2  18
ATOM     18  O   LIG    1       -0.426  -0.078  -1.383  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.393  -0.478  -1.046  0.00  0.00    +0.213 HD
ENDBRANCH   2  18
BRANCH   1  20
ATOM     20  C   LIG    1        0.209   0.734   1.484  0.00  0.00    +0.146 C 
BRANCH  20  24
ATOM     21  C   LIG    1        4.209   0.829  -0.164  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        3.252   1.766  -0.572  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        1.961   1.742  -0.036  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        1.608   0.780   0.918  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.567  -0.161   1.319  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.859  -0.138   0.785  0.00  0.00    +0.011 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.626  -0.077  -0.305  0.00  0.00    +0.091 C 
ATOM     28  C   LIG    1        5.574   0.898  -0.766  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1        5.823   1.740  -1.626  0.00  0.00    -0.292 OA
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5