REMARK  Name = BDB012358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.326   0.723   0.786  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -1.476   1.489   0.579  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1       -1.188   2.828   0.575  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.129   2.889   0.752  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.715   1.625   0.887  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.822   1.031   0.377  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1       -3.079  -0.305   0.358  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -4.352  -0.707   0.167  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1       -5.409   0.161  -0.015  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.139   1.527   0.003  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -3.830   1.975   0.201  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -6.207   2.536  -0.183  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -6.059   3.743  -0.179  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -7.418   1.981  -0.367  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -8.013   2.753  -0.474  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1       -0.379  -0.615   0.845  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.861  -1.321   0.959  0.00  0.00    +0.270 C 
BRANCH  17  19
ATOM     18  C   LIG    1        2.966  -1.326  -0.483  0.00  0.00    +0.128 A 
ATOM     19  C   LIG    1        1.568  -1.458  -0.376  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        0.815  -1.770  -1.522  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        1.434  -1.927  -2.761  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        2.813  -1.781  -2.857  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1        3.584  -1.974  -4.385  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        3.580  -1.485  -1.730  0.00  0.00    +0.066 A 
BRANCH  18  25
ATOM     25  O   LIG    1        3.631  -1.040   0.680  0.00  0.00    -0.492 OA
BRANCH  25  27
ATOM     26  C   LIG    1        5.549  -0.602   2.022  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        5.051  -0.910   0.621  0.00  0.00    +0.225 C 
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8