REMARK  Name = BDB016581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.530  -0.155   0.072  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1       -0.388  -0.697  -0.665  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1        0.937  -0.005  -0.235  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1        0.952   0.315   1.272  0.00  0.00    +0.025 C 
ATOM      5  C   LIG    1       -0.013  -0.587   2.033  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1       -1.452  -0.439   1.513  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.171  -1.947  -0.664  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -2.840  -0.448  -0.547  0.00  0.00    +0.084 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.952   0.396   0.078  0.00  0.00    -0.031 A 
ATOM     10  C   LIG    1       -4.920  -0.132   0.946  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -5.910   0.687   1.498  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.942   2.046   1.198  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.984   2.591   0.348  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -3.996   1.774  -0.204  0.00  0.00    +0.005 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  N   LIG    1        2.066  -0.879  -0.577  0.00  0.00    -0.337 N 
ATOM     16  H   LIG    1        1.961  -1.830  -0.216  0.00  0.00    +0.146 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.412  -0.517  -0.661  0.00  0.00    +0.071 A 
ATOM     18  C   LIG    1        4.461  -1.333  -0.469  0.00  0.00    +0.129 A 
ATOM     19 CL   LIG    1        4.215  -3.002  -0.059  0.00  0.00    -0.076 Cl
ATOM     20  C   LIG    1        5.874  -0.866  -0.570  0.00  0.00    +0.287 A 
ATOM     21  O   LIG    1        6.814  -1.644  -0.416  0.00  0.00    -0.265 OA
ATOM     22  N   LIG    1        6.038   0.490  -0.835  0.00  0.00    -0.231 N 
ATOM     23  C   LIG    1        7.371   1.044  -0.981  0.00  0.00    +0.176 C 
ATOM     24  N   LIG    1        5.002   1.348  -1.099  0.00  0.00    -0.175 NA
ATOM     25  C   LIG    1        3.804   0.870  -1.019  0.00  0.00    +0.157 A 
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 4