REMARK  Name = BDB008609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.480  -1.284   0.467  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        1.709  -0.158   0.624  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        1.853   0.207   1.963  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.139   1.335   2.404  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.320   2.058   1.533  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        0.196   1.685   0.186  0.00  0.00    -0.024 A 
ATOM      7 CL   LIG    1        1.294   1.787   4.044  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        2.747  -0.762   2.502  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        3.271  -0.879   3.886  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1        0.900   0.558  -0.277  0.00  0.00    +0.033 A 
ATOM     11  N   LIG    1        3.124  -1.661   1.584  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.746   2.482  -0.716  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1       -0.320   2.597  -2.186  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  N   LIG    1       -2.149   2.046  -0.554  0.00  0.00    -0.290 N 
ATOM     15  C   LIG    1       -2.518   0.751  -0.954  0.00  0.00    +0.235 C 
ATOM     16  O   LIG    1       -1.796   0.054  -1.675  0.00  0.00    -0.274 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.871   0.193  -0.430  0.00  0.00    +0.155 C 
ATOM     18  N   LIG    1       -3.829   0.004   1.052  0.00  0.00    -0.303 NA
ATOM     19  H   LIG    1       -4.777  -0.235   1.348  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1       -2.968  -1.147   1.388  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1       -3.397  -2.443   0.670  0.00  0.00    +0.096 C 
ATOM     22  N   LIG    1       -3.455  -2.305  -0.793  0.00  0.00    -0.313 NA
ATOM     23  H   LIG    1       -2.503  -2.113  -1.125  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.262  -1.123  -1.160  0.00  0.00    +0.109 C 
ENDBRANCH  15  17
BRANCH  14  25
ATOM     25  C   LIG    1       -3.000   2.886   0.261  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1       -3.116   4.376   0.028  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -4.272   3.485  -0.289  0.00  0.00    +0.024 C 
ENDBRANCH  14  25
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  28
ATOM     28  C   LIG    1        2.637  -2.070  -0.746  0.00  0.00    +0.146 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.685  -1.490  -1.697  0.00  0.00    +0.051 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.114  -1.804  -1.261  0.00  0.00    +0.161 C 
BRANCH  30  32
ATOM     31  C   LIG    1        5.803  -3.659  -2.580  0.00  0.00    +0.193 C 
ATOM     32  O   LIG    1        5.370  -3.207  -1.305  0.00  0.00    -0.383 OA
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8