REMARK  Name = BDB034744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.081   0.803  -1.630  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1        0.181   1.237  -1.197  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.228   2.624  -1.342  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        1.346   3.351  -1.000  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.440   2.640  -0.489  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.408   1.231  -0.331  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -1.002   3.047  -1.858  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -1.358   4.407  -2.142  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        1.253   0.524  -0.699  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -1.834   1.926  -2.040  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -2.985   1.911  -2.445  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.522   0.594   0.256  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        4.400   1.083   0.096  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.602  -0.556   1.076  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.759  -1.356   1.103  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        4.747  -2.501   1.890  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        6.093  -3.570   2.016  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        3.695  -2.907   2.635  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        2.596  -2.131   2.597  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        2.507  -0.972   1.844  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        5.914  -1.004   0.340  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        6.832  -0.661  -0.283  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -1.551  -0.564  -1.672  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.111  -1.123  -0.346  0.00  0.00    +0.148 C 
ATOM     25  O   LIG    1       -1.035  -1.296   0.607  0.00  0.00    -0.440 OA
ATOM     26  C   LIG    1       -1.487  -0.948   1.850  0.00  0.00    +0.403 C 
ATOM     27  O   LIG    1       -0.809  -1.052   2.859  0.00  0.00    -0.226 OA
ATOM     28  N   LIG    1       -2.765  -0.453   1.756  0.00  0.00    -0.267 N 
ATOM     29  C   LIG    1       -3.399   0.274   2.829  0.00  0.00    +0.135 C 
ATOM     30  C   LIG    1       -3.073  -0.185   0.380  0.00  0.00    +0.160 C 
BRANCH  24  32
ATOM     31  C   LIG    1       -1.840  -3.576  -1.121  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1       -2.776  -2.507  -0.566  0.00  0.00    +0.048 C 
ENDBRANCH  24  32
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 6