REMARK  Name = BDB034698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.889  -1.651  -0.958  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.436  -1.512  -0.519  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.932  -2.787  -0.247  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -2.215  -2.982   0.211  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.006  -1.840   0.394  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.516  -0.534   0.132  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        0.085  -3.712  -0.509  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -0.013  -5.130  -0.316  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -1.204  -0.378  -0.340  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        1.239  -3.021  -0.933  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        2.325  -3.501  -1.214  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -3.399   0.553   0.307  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -4.085   0.386   1.042  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.415   1.848  -0.261  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -3.896   2.958   0.459  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -3.843   4.206  -0.149  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -4.399   5.649   0.612  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -3.360   4.431  -1.391  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -2.905   3.359  -2.064  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -2.908   2.074  -1.548  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.425   2.808   1.777  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -4.864   2.621   2.835  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1        1.799  -0.578  -1.263  0.00  0.00    +0.127 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.481  -0.038  -0.009  0.00  0.00    +0.033 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.474   1.064  -0.354  0.00  0.00    +0.122 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.053   1.656   0.902  0.00  0.00    +0.307 C 
ATOM     27  O   LIG    1        3.557   2.601   1.501  0.00  0.00    -0.251 OA
BRANCH  26  29
ATOM     28  C   LIG    1        5.762   1.460   2.485  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1        5.167   0.975   1.281  0.00  0.00    -0.468 OA
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8