REMARK  Name = BDB012657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.790   0.199  -0.098  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.903   1.203  -0.264  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1  11
ATOM      3  C   LIG    1       -2.964  -2.694   0.360  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -2.209  -1.480   0.163  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -2.724  -0.227  -0.049  0.00  0.00    +0.071 A 
ATOM      6  C   LIG    1       -1.609   0.597  -0.179  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.802   1.975  -0.409  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -3.108   2.465  -0.498  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -4.209   1.621  -0.365  0.00  0.00    +0.022 A 
ATOM     10 CL   LIG    1       -3.361   4.146  -0.779  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -0.480  -0.269  -0.028  0.00  0.00    +0.153 A 
ATOM     12  C   LIG    1       -4.039   0.252  -0.136  0.00  0.00    +0.029 A 
ATOM     13  N   LIG    1       -0.868  -1.529   0.179  0.00  0.00    -0.155 NA
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1        2.044  -0.448   0.017  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        3.256   0.269  -0.095  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1        4.489  -0.386   0.021  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        4.491  -1.747   0.247  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        3.368  -2.477   0.362  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1        2.184  -1.817   0.245  0.00  0.00    +0.134 A 
BRANCH  15  20
ATOM     20  C   LIG    1        3.230   1.736  -0.339  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1        2.223   2.415  -0.458  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        4.453   2.288  -0.423  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        4.282   3.240  -0.583  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  15  20
ENDBRANCH   1  14
TORSDOF 4