REMARK  Name = BDB056744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.167  -1.005   0.395  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.139   0.022  -0.572  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.333   0.699  -0.667  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.155   1.553  -1.751  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.201   2.400  -2.146  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.407   2.360  -1.436  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.568   1.485  -0.361  0.00  0.00    +0.132 A 
ATOM      8  N   LIG    1       -0.102   1.417  -2.283  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.525   0.651   0.068  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.707   0.498  -1.552  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.761   1.550   0.323  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.511   0.382   0.432  0.00  0.00    +0.222 A 
ATOM     13  N   LIG    1        5.171  -0.724  -0.263  0.00  0.00    -0.201 NA
ATOM     14  C   LIG    1        5.975  -1.793  -0.107  0.00  0.00    +0.133 A 
ATOM     15 CL   LIG    1        5.495  -3.180  -0.995  0.00  0.00    -0.062 Cl
ATOM     16  C   LIG    1        7.100  -1.823   0.700  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        7.429  -0.667   1.400  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        6.622   0.458   1.264  0.00  0.00    +0.068 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -2.104   0.010  -1.765  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.811   0.203  -0.539  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.125  -0.173  -0.512  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -4.762   0.050   0.712  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -6.111  -0.286   0.873  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -6.818  -0.876  -0.176  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.183  -1.097  -1.397  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.841  -0.741  -1.567  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -6.808  -0.061   2.158  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -7.593  -0.859   2.638  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.516   1.133   2.716  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -6.005   1.737   2.144  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7