REMARK  Name = BDB032060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.542  -0.615   2.256  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        1.379  -0.781   1.168  0.00  0.00    -0.283 N 
ATOM      3  H   LIG    1        1.094  -1.450   0.455  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.711   0.188   3.172  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.558  -0.066   0.851  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        3.215  -0.365  -0.359  0.00  0.00    +0.063 A 
ATOM      7 CL   LIG    1        2.596  -1.580  -1.427  0.00  0.00    -0.082 Cl
ATOM      8  C   LIG    1        4.383   0.305  -0.736  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        4.916   1.289   0.098  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1        4.277   1.593   1.302  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        3.106   0.920   1.676  0.00  0.00    +0.026 A 
BRANCH   9  12
ATOM     12  C   LIG    1        6.113   1.982  -0.279  0.00  0.00    +0.099 C 
ATOM     13  N   LIG    1        7.083   2.540  -0.585  0.00  0.00    -0.191 NA
ENDBRANCH   9  12
ENDBRANCH   2   5
BRANCH   1  14
ATOM     14  C   LIG    1       -0.633  -1.577   2.298  0.00  0.00    +0.217 C 
BRANCH  14  22
ATOM     15  C   LIG    1       -4.365   1.899  -1.912  0.00  0.00    +0.152 C 
ATOM     16  N   LIG    1       -3.571   0.962  -1.135  0.00  0.00    -0.318 N 
ATOM     17  C   LIG    1       -3.349  -0.335  -1.657  0.00  0.00    +0.260 A 
ATOM     18  O   LIG    1       -3.780  -0.734  -2.735  0.00  0.00    -0.267 OA
ATOM     19  C   LIG    1       -2.541  -1.184  -0.789  0.00  0.00    +0.064 A 
ATOM     20  C   LIG    1       -2.082  -2.516  -0.907  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -1.351  -2.797   0.231  0.00  0.00    +0.087 A 
ATOM     22  N   LIG    1       -1.341  -1.672   1.030  0.00  0.00    -0.338 N 
ATOM     23  C   LIG    1       -2.075  -0.697   0.415  0.00  0.00    +0.056 A 
ATOM     24  C   LIG    1       -2.321   0.603   0.903  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -3.066   1.386   0.101  0.00  0.00    +0.091 A 
ENDBRANCH  14  22
ENDBRANCH   1  14
TORSDOF 4