REMARK  Name = BDB030915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.567  -2.370  -0.145  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.456  -1.330   0.762  0.00  0.00    +0.081 A 
ATOM      3  N   LIG    1       -1.490  -0.539   1.124  0.00  0.00    -0.214 NA
ATOM      4  C   LIG    1       -2.674  -0.785   0.562  0.00  0.00    +0.216 A 
ATOM      5  N   LIG    1       -2.888  -1.754  -0.333  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -1.837  -2.529  -0.658  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.797  -0.995   1.416  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        1.974  -0.385   0.884  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        2.889  -0.268   1.932  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        4.167   0.286   1.754  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        4.538   0.744   0.472  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        3.626   0.642  -0.580  0.00  0.00    +0.025 A 
ATOM     13 BR   LIG    1        5.350   0.400   3.239  0.00  0.00    -0.046 Br
ATOM     14  N   LIG    1        2.275  -0.770   3.060  0.00  0.00    -0.359 N 
ATOM     15  H   LIG    1        2.702  -0.794   3.976  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        2.351   0.088  -0.388  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.012  -1.200   2.764  0.00  0.00    +0.093 A 
BRANCH  11  18
ATOM     18  N   LIG    1        5.826   1.296   0.306  0.00  0.00    -0.250 N 
ATOM     19  H   LIG    1        6.415   1.339   1.128  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        6.416   1.789  -0.820  0.00  0.00    +0.404 C 
ATOM     21  O   LIG    1        5.952   1.855  -1.948  0.00  0.00    -0.226 OA
BRANCH  20  22
ATOM     22  O   LIG    1        7.664   2.215  -0.486  0.00  0.00    -0.453 OA
ATOM     23  C   LIG    1        8.406   2.763  -1.577  0.00  0.00    +0.282 C 
ENDBRANCH  20  22
ENDBRANCH  11  18
ENDBRANCH   2   7
BRANCH   1  25
ATOM     24  C   LIG    1        0.662  -4.473   0.447  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1        0.535  -3.312  -0.528  0.00  0.00    +0.035 C 
ENDBRANCH   1  25
BRANCH   4  26
ATOM     26  N   LIG    1       -3.704   0.054   0.955  0.00  0.00    -0.309 N 
ATOM     27  H   LIG    1       -3.263   0.848   1.407  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -4.703   0.373  -0.059  0.00  0.00    +0.087 C 
ATOM     29  C   LIG    1       -4.127   1.277  -1.179  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1       -5.142   1.738  -2.141  0.00  0.00    -0.314 NA
ATOM     31  H   LIG    1       -5.530   0.922  -2.618  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -6.222   2.452  -1.460  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -6.889   1.592  -0.388  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -5.871   1.092   0.634  0.00  0.00    +0.025 C 
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 6