REMARK  Name = BDB020604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.272  -0.528  -0.315  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.474   0.309  -0.164  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1        1.630   1.438  -1.152  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        2.379  -0.015   0.806  0.00  0.00    +0.060 A 
ATOM      5  N   LIG    1        2.127  -1.169   1.597  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1        1.003  -1.978   1.436  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        1.054  -3.013   2.345  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        2.239  -2.858   3.090  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.877  -1.733   2.614  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        0.059  -1.623   0.439  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -1.490   0.930  -1.010  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -1.282   1.432  -0.154  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -0.819  -0.232  -1.289  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1       -1.097  -0.998  -2.203  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -2.682   1.327  -1.722  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1       -7.317   0.024   1.541  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1       -6.146   0.276   0.644  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1       -5.302   1.302   0.988  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -5.479   1.847   1.822  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1       -4.180   1.653   0.283  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1       -3.445   2.561   0.663  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1       -3.889   0.864  -0.961  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -4.727  -0.144  -1.294  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1       -4.581  -1.042  -2.492  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -5.882  -0.441  -0.458  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1        3.636   0.792   1.103  0.00  0.00    +0.192 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.781   0.574   0.117  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1        5.540   1.655  -0.364  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        6.609   1.455  -1.242  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        6.940   0.165  -1.643  0.00  0.00    +0.018 A 
ATOM     31 BR   LIG    1        8.384  -0.110  -2.831  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1        6.216  -0.925  -1.170  0.00  0.00    +0.015 A 
ATOM     33  C   LIG    1        5.148  -0.722  -0.290  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
BRANCH  26  34
ATOM     34  O   LIG    1        3.286   2.181   1.189  0.00  0.00    -0.381 OA
ATOM     35  H   LIG    1        2.532   2.239   1.799  0.00  0.00    +0.211 HD
ENDBRANCH  26  34
ENDBRANCH   4  26
TORSDOF 6