REMARK  Name = BDB052499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.155  -3.817   0.678  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1        0.755  -2.750   0.709  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1        1.922  -2.770   1.457  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1        2.616  -1.601   1.336  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1        1.909  -0.841   0.518  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1        2.300  -3.814   2.225  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        1.432  -4.849   2.208  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1        0.768  -1.506   0.130  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1        0.021  -1.128  -0.440  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        0.238  -4.900   1.491  0.00  0.00    +0.059 A 
ATOM     11 BR   LIG    1       -0.823  -6.472   1.630  0.00  0.00    -0.047 Br
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1       -2.092  -1.190  -0.891  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1       -2.183  -2.297  -1.866  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1       -1.282  -3.496  -1.478  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1       -1.360  -3.828  -0.040  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1       -2.476  -3.196   0.684  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -2.548  -1.663   0.446  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1       -2.861  -0.015  -1.353  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -1.175   3.922   1.462  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -1.595   2.917   0.470  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1       -1.303   3.192  -0.827  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1       -1.733   2.151  -1.628  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1       -2.285   1.251  -0.799  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1       -2.237   1.706   0.541  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1        2.252   0.523   0.103  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        1.621   1.163  -0.969  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        1.968   2.472  -1.326  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.959   3.167  -0.623  0.00  0.00    -0.034 A 
ATOM     29  C   LIG    1        3.596   2.529   0.447  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.250   1.221   0.799  0.00  0.00    +0.012 A 
BRANCH  28  31
ATOM     31  C   LIG    1        3.296   4.590  -0.984  0.00  0.00    +0.113 C 
BRANCH  31  32
ATOM     32  N   LIG    1        2.405   5.527  -0.308  0.00  0.00    -0.326 NA
ATOM     33  H   LIG    1        2.466   5.361   0.696  0.00  0.00    +0.119 HD
ATOM     34  H   LIG    1        1.445   5.300  -0.567  0.00  0.00    +0.119 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH   5  25
TORSDOF 6