REMARK  Name = BDB008567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.221   0.066   0.919  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        2.273  -0.925   0.904  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        2.983  -2.118   0.780  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        2.236  -3.308   0.741  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.838  -3.295   0.814  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        0.137  -2.086   0.922  0.00  0.00    -0.024 A 
ATOM      7 CL   LIG    1        3.092  -4.780   0.592  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        4.350  -1.714   0.728  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        5.565  -2.558   0.597  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1        0.871  -0.882   0.983  0.00  0.00    +0.033 A 
ATOM     11  N   LIG    1        4.483  -0.384   0.813  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.389  -2.012   0.998  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1       -2.125  -3.353   1.145  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  N   LIG    1       -1.967  -1.197  -0.105  0.00  0.00    -0.289 N 
ATOM     15  C   LIG    1       -2.387   0.108   0.202  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1       -2.159   0.617   1.306  0.00  0.00    -0.273 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.183   0.897  -0.864  0.00  0.00    +0.217 C 
ATOM     18  O   LIG    1       -3.066   2.321  -0.658  0.00  0.00    -0.365 OA
ATOM     19  C   LIG    1       -4.175   2.854   0.069  0.00  0.00    +0.176 C 
ATOM     20  C   LIG    1       -5.476   2.675  -0.731  0.00  0.00    +0.109 C 
ATOM     21  N   LIG    1       -5.584   1.392  -1.457  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -5.279   1.565  -2.417  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -4.655   0.414  -0.863  0.00  0.00    +0.122 C 
ENDBRANCH  15  17
BRANCH  14  24
ATOM     24  C   LIG    1       -2.197  -1.832  -1.387  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1       -1.151  -2.641  -2.118  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -1.570  -1.315  -2.659  0.00  0.00    +0.024 C 
ENDBRANCH  14  24
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  27
ATOM     27  C   LIG    1        2.990   1.496   1.034  0.00  0.00    +0.146 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.673   2.134  -0.317  0.00  0.00    +0.051 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.504   3.648  -0.202  0.00  0.00    +0.161 C 
BRANCH  29  31
ATOM     30  C   LIG    1        4.773   4.299   0.170  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        3.639   4.366  -0.682  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8