REMARK  Name = BDB020937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.210  -0.225   0.245  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -2.321   0.905  -0.071  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -0.851   0.447  -0.074  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -0.602  -0.710  -0.946  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.657  -1.182  -1.276  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.822  -2.148  -2.021  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.790  -1.387  -1.470  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -2.919  -1.505  -0.429  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -7.183   0.791   1.016  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -6.236   1.699   0.584  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -4.942   1.380   0.327  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -4.540   0.099   0.490  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -5.444  -0.867   0.940  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -6.774  -0.523   1.201  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1       -9.620   1.532   1.470  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -8.527   1.200   1.267  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        1.838  -0.444  -0.671  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.160  -1.112  -1.034  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.361  -0.414  -0.442  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1        5.571  -1.002  -0.762  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        5.610  -1.825  -1.345  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1        6.787  -0.526  -0.326  0.00  0.00    +0.260 A 
ATOM     23  O   LIG    1        7.846  -1.065  -0.623  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1        6.681   0.653   0.503  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1        5.420   1.150   0.755  0.00  0.00    +0.115 A 
ATOM     26  S   LIG    1        5.480   2.539   1.746  0.00  0.00    -0.077 S 
ATOM     27  C   LIG    1        7.190   2.477   1.840  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        7.709   1.417   1.129  0.00  0.00    +0.023 A 
ATOM     29  N   LIG    1        4.244   0.644   0.301  0.00  0.00    -0.227 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5