REMARK  Name = BDB034679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.328  -0.380  -0.880  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -0.043  -0.551  -1.139  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.587  -1.809  -0.973  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -1.903  -2.258  -1.150  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.972  -3.627  -0.808  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -0.658  -4.009  -0.460  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -0.258  -5.315  -0.025  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -2.970  -4.330  -0.807  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        0.182  -2.893  -0.552  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        1.527  -2.765  -0.291  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        2.095  -1.494  -0.459  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.878   0.914  -1.008  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        1.335   1.507  -1.636  0.00  0.00    +0.152 HD
BRANCH  12  19
ATOM     14  C   LIG    1        4.456   1.744   1.535  0.00  0.00    +0.151 A 
ATOM     15  N   LIG    1        5.137   2.764   0.965  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1        4.717   3.170  -0.250  0.00  0.00    +0.149 A 
ATOM     17 CL   LIG    1        5.663   4.471  -0.868  0.00  0.00    -0.061 Cl
ATOM     18  C   LIG    1        3.648   2.614  -0.942  0.00  0.00    +0.110 A 
ATOM     19  C   LIG    1        2.944   1.555  -0.337  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        3.373   1.121   0.924  0.00  0.00    +0.059 A 
BRANCH  14  21
ATOM     21  C   LIG    1        4.893   1.264   2.881  0.00  0.00    +0.358 C 
ATOM     22  O   LIG    1        4.372   0.323   3.462  0.00  0.00    -0.243 OA
BRANCH  21  24
ATOM     23  C   LIG    1        6.406   1.618   4.629  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1        5.926   2.012   3.344  0.00  0.00    -0.463 OA
ENDBRANCH  21  24
ENDBRANCH  14  21
BRANCH  18  25
ATOM     25  C   LIG    1        3.279   3.106  -2.232  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1        2.934   3.487  -3.272  0.00  0.00    -0.191 NA
ENDBRANCH  18  25
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   4  27
ATOM     27  C   LIG    1       -3.030  -1.434  -1.512  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.658  -0.767  -0.284  0.00  0.00    +0.036 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.737   0.283  -0.605  0.00  0.00    +0.096 C 
ATOM     30  C   LIG    1       -5.819  -0.249  -1.541  0.00  0.00    +0.019 C 
BRANCH  29  31
ATOM     31  C   LIG    1       -4.121   1.560  -1.159  0.00  0.00    +0.310 C 
ATOM     32  O   LIG    1       -2.940   1.706  -1.443  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -5.071   2.531  -1.267  0.00  0.00    -0.468 OA
ATOM     34  C   LIG    1       -4.583   3.775  -1.771  0.00  0.00    +0.280 C 
ENDBRANCH  31  33
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 10