REMARK  Name = BDB012692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.271  -0.851   0.658  0.00  0.00    -0.260 N 
ATOM      2  C   LIG    1       -0.593  -0.552   1.957  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.968  -0.329   1.939  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -2.623   0.003   3.144  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.867   0.100   4.316  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1       -0.491  -0.123   4.310  0.00  0.00    +0.022 A 
ATOM      7 CL   LIG    1       -2.652   0.506   5.795  0.00  0.00    -0.084 Cl
ATOM      8  C   LIG    1       -2.364  -0.513   0.578  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        0.176  -0.455   3.126  0.00  0.00    +0.029 A 
ATOM     10  N   LIG    1       -1.315  -0.821  -0.187  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -3.653  -0.369   0.185  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -4.332  -0.126   0.911  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -4.276  -0.495  -1.080  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -5.663  -0.283  -1.243  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -6.264  -0.409  -2.503  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -5.469  -0.744  -3.579  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -4.146  -0.957  -3.480  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -3.587  -0.830  -2.247  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -6.500   0.078  -0.068  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -6.094   0.214   1.074  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -7.799   0.253  -0.368  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -8.221   0.482   0.487  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1        1.042  -1.160   0.133  0.00  0.00    +0.172 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.712   0.066  -0.467  0.00  0.00    +0.183 C 
BRANCH  24  25
ATOM     25  O   LIG    1        3.050  -0.277  -0.838  0.00  0.00    -0.377 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.728   0.833  -1.438  0.00  0.00    +0.175 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.181   0.453  -1.774  0.00  0.00    +0.112 C 
BRANCH  27  29
ATOM     28  C   LIG    1        7.497   0.345  -1.120  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1        6.133   0.600  -0.650  0.00  0.00    -0.306 NA
ATOM     30  C   LIG    1        5.814  -0.308   0.455  0.00  0.00    +0.104 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 10