REMARK  Name = BDB034787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.447   0.009   0.996  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.688   0.656   0.848  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.352   0.537  -0.358  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        3.577   1.076  -0.783  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        3.796   0.701  -2.131  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1        2.705  -0.112  -2.495  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        2.508  -0.720  -3.778  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1        4.744   1.018  -2.831  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        1.822  -0.205  -1.413  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.625  -0.872  -1.299  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -0.053  -0.766  -0.078  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.213   0.088   2.241  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.229   0.735   2.887  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1       -3.808  -0.235   1.853  0.00  0.00    +0.220 A 
ATOM     15  N   LIG    1       -2.505  -0.112   1.547  0.00  0.00    -0.198 NA
ATOM     16  C   LIG    1       -1.597  -0.024   2.542  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1       -1.992  -0.073   3.873  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1       -0.893   0.048   5.190  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -3.339  -0.208   4.099  0.00  0.00    +0.137 A 
ATOM     20  N   LIG    1       -4.255  -0.288   3.117  0.00  0.00    -0.221 NA
BRANCH  14  26
ATOM     21  C   LIG    1       -7.208   0.814  -0.693  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -6.726  -0.591  -0.331  0.00  0.00    +0.008 C 
ATOM     23  C   LIG    1       -5.562  -1.114  -1.195  0.00  0.00    +0.008 C 
ATOM     24  C   LIG    1       -5.655  -0.827  -2.685  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -4.311  -0.502  -0.540  0.00  0.00    +0.111 C 
ATOM     26  N   LIG    1       -4.718  -0.285   0.836  0.00  0.00    -0.299 N 
ATOM     27  C   LIG    1       -6.107  -0.623   1.078  0.00  0.00    +0.111 C 
ENDBRANCH  14  26
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1        4.429   1.957  -0.029  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.168   1.312   1.148  0.00  0.00    +0.056 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.271   0.280   0.836  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1        5.720  -1.060   0.350  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1        7.330   0.806  -0.133  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     33  O   LIG    1        6.927  -0.002   2.086  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1        7.440   0.783   2.343  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7