REMARK  Name = BDB022149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.811   1.266  -1.180  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1       -0.099   0.217  -1.276  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1       -1.280   0.672  -0.677  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1       -1.185   2.016  -0.398  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        0.065   2.346  -0.696  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1        7.354   0.465   2.032  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        6.115  -0.394   2.006  0.00  0.00    +0.213 C 
ATOM      8  N   LIG    1        5.222  -0.175   0.971  0.00  0.00    -0.299 N 
ATOM      9  C   LIG    1        5.450   0.772  -0.128  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1        4.515   0.537  -1.322  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1        3.107   0.514  -0.918  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1        2.196   1.310  -1.611  0.00  0.00    +0.250 C 
ATOM     13  O   LIG    1        2.532   2.045  -2.536  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.806  -0.146   0.363  0.00  0.00    +0.127 C 
ATOM     15  C   LIG    1        3.983  -0.957   0.922  0.00  0.00    +0.126 C 
ATOM     16  O   LIG    1        5.931  -1.249   2.872  0.00  0.00    -0.276 OA
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  C   LIG    1       -2.484  -0.027  -0.287  0.00  0.00    +0.252 A 
ATOM     18  N   LIG    1       -3.528   0.718   0.134  0.00  0.00    -0.210 NA
ATOM     19  C   LIG    1       -4.649   0.082   0.537  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1       -4.750  -1.296   0.596  0.00  0.00    -0.006 A 
ATOM     21  C   LIG    1       -5.943  -2.051   1.078  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1       -3.633  -1.968   0.144  0.00  0.00    +0.120 A 
ATOM     23  N   LIG    1       -2.507  -1.370  -0.291  0.00  0.00    -0.219 NA
BRANCH  19  24
ATOM     24  C   LIG    1       -5.706   1.016   0.938  0.00  0.00    +0.038 A 
ATOM     25  S   LIG    1       -7.261   0.957   0.212  0.00  0.00    -0.095 S 
ATOM     26  C   LIG    1       -7.820   2.284   1.134  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -6.840   2.791   1.956  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -5.617   2.069   1.831  0.00  0.00    +0.017 A 
ENDBRANCH  19  24
ENDBRANCH   3  17
BRANCH   2  29
ATOM     29  C   LIG    1        0.285  -1.094  -2.055  0.00  0.00    +0.039 C 
ATOM     30  C   LIG    1        0.105  -2.454  -1.453  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -0.717  -2.035  -2.646  0.00  0.00    +0.010 C 
ENDBRANCH   2  29
TORSDOF 4