REMARK  Name = BDB050478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.243   3.065  -0.069  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1       -0.788   4.047  -0.908  0.00  0.00    +0.127 A 
ATOM      3 BR   LIG    1        0.222   4.716  -2.385  0.00  0.00    -0.027 Br
ATOM      4  N   LIG    1       -2.014   4.595  -0.744  0.00  0.00    -0.246 NA
ATOM      5  C   LIG    1       -2.751   4.145   0.294  0.00  0.00    +0.117 A 
ATOM      6  C   LIG    1       -2.332   3.155   1.174  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -1.047   2.626   0.984  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        1.794   1.690   0.464  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1        1.070   2.583  -0.303  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        1.538   3.006  -1.100  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        1.386   1.110   1.464  0.00  0.00    -0.275 OA
BRANCH   8  15
ATOM     12  C   LIG    1        3.596  -1.836  -1.580  0.00  0.00    +0.403 C 
ATOM     13  N   LIG    1        3.616  -0.717  -0.787  0.00  0.00    -0.267 N 
ATOM     14  C   LIG    1        3.230   0.590  -1.284  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        3.214   1.499  -0.059  0.00  0.00    +0.094 C 
ATOM     16  C   LIG    1        4.125   0.779   0.940  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1        3.914  -0.695   0.631  0.00  0.00    +0.112 C 
ATOM     18  O   LIG    1        3.291  -1.811  -2.765  0.00  0.00    -0.226 OA
BRANCH  12  19
ATOM     19  O   LIG    1        3.961  -2.943  -0.888  0.00  0.00    -0.445 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.090  -4.232  -2.659  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1        4.047  -4.237  -1.537  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1        4.522  -5.195  -0.432  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        2.674  -4.704  -2.033  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH  12  19
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -3.203   2.696   2.318  0.00  0.00    +0.163 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.511   2.193   1.894  0.00  0.00    -0.289 N 
ATOM     26  C   LIG    1       -4.663   0.877   1.359  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -5.926   0.447   0.934  0.00  0.00    +0.063 A 
ATOM     28  C   LIG    1       -6.124  -0.833   0.395  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -5.049  -1.707   0.276  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.786  -1.302   0.695  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -7.073   1.360   1.059  0.00  0.00    +0.262 A 
ATOM     32  O   LIG    1       -8.195   1.047   0.682  0.00  0.00    -0.267 OA
ATOM     33  N   LIG    1       -6.810   2.579   1.619  0.00  0.00    -0.274 N 
ATOM     34  H   LIG    1       -7.586   3.219   1.695  0.00  0.00    +0.173 HD
ATOM     35  C   LIG    1       -3.595  -0.023   1.234  0.00  0.00    +0.027 A 
ATOM     36  C   LIG    1       -5.594   3.054   2.013  0.00  0.00    +0.330 A 
ATOM     37  O   LIG    1       -5.503   4.205   2.436  0.00  0.00    -0.246 OA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 6