REMARK  Name = BDB032974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.003   0.024  -0.604  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.719   0.046   0.564  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.233  -0.038   1.447  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.401   0.084  -1.755  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.574   2.367   0.233  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.206   1.015   0.049  0.00  0.00    -0.038 A 
ATOM      7  C   LIG    1       -1.463  -0.107  -0.370  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.075  -1.363  -0.559  0.00  0.00    -0.038 A 
ATOM      9  C   LIG    1       -1.298  -2.557  -1.040  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -3.447  -1.485  -0.305  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.188  -0.386   0.132  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.573   0.854   0.308  0.00  0.00    +0.004 A 
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  C   LIG    1        2.077   0.158   0.691  0.00  0.00    +0.167 A 
ATOM     14  S   LIG    1        3.129   0.309  -0.645  0.00  0.00    -0.028 S 
ATOM     15  C   LIG    1        4.444   0.376   0.424  0.00  0.00    +0.185 A 
ATOM     16  C   LIG    1        4.018   0.283   1.727  0.00  0.00    +0.153 A 
ATOM     17  N   LIG    1        2.646   0.158   1.877  0.00  0.00    -0.231 NA
BRANCH  15  18
ATOM     18  N   LIG    1        5.789   0.513  -0.031  0.00  0.00    +0.065 N 
ATOM     19  O   LIG    1        6.661   0.551   0.847  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1        5.994   0.583  -1.248  0.00  0.00    -0.126 OA
ENDBRANCH  15  18
ENDBRANCH   2  13
TORSDOF 3