REMARK  Name = BDB002695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.099  -0.640   0.761  0.00  0.00    +0.258 C 
ATOM      2  N   LIG    1       -1.442  -0.667   0.336  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1       -2.358   0.434   0.552  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -3.719   0.310   0.187  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1       -4.609   1.388   0.362  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -4.173   2.589   0.908  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.842   2.726   1.270  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.269  -0.943  -0.439  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -3.402  -2.137  -0.107  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1       -1.947   1.665   1.088  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -1.958  -1.808  -0.432  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.365   0.131   1.605  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.844  -1.681   0.125  0.00  0.00    +0.328 C 
BRANCH  13  14
ATOM     14  O   LIG    1        2.226  -1.356   0.312  0.00  0.00    -0.452 OA
BRANCH  14  16
ATOM     15  O   LIG    1        2.024   0.198  -1.363  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        2.659  -0.336  -0.468  0.00  0.00    +0.341 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.043   0.047  -0.114  0.00  0.00    +0.077 A 
ATOM     18  C   LIG    1        4.727  -0.512   0.960  0.00  0.00    +0.127 A 
ATOM     19  N   LIG    1        6.000  -0.186   1.300  0.00  0.00    -0.243 NA
ATOM     20  C   LIG    1        6.604   0.749   0.538  0.00  0.00    +0.129 A 
ATOM     21 CL   LIG    1        8.208   1.130   1.007  0.00  0.00    -0.062 Cl
ATOM     22  C   LIG    1        6.012   1.374  -0.546  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        4.706   1.013  -0.877  0.00  0.00    +0.019 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 4