REMARK  Name = BDB049734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.334   1.136  -0.127  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1        0.545   2.154  -0.516  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.935   1.969  -0.491  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.494   0.751  -0.078  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.608  -0.268   0.304  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.219  -0.080   0.276  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.949   0.487  -0.030  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1        5.114   1.718  -0.339  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        6.393   0.602  -0.075  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        5.848  -0.642   0.236  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        6.719  -1.720   0.495  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        8.103  -1.525   0.436  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        8.625  -0.274   0.123  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.781   0.810  -0.137  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        4.465  -0.693   0.259  0.00  0.00    -0.239 NA
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  N   LIG    1       -1.718   1.361  -0.214  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1       -1.980   2.335  -0.100  0.00  0.00    +0.152 HD
BRANCH  16  22
ATOM     18  C   LIG    1       -5.121  -0.027  -0.065  0.00  0.00    +0.127 A 
ATOM     19  N   LIG    1       -5.019  -1.248  -0.659  0.00  0.00    -0.250 NA
ATOM     20  C   LIG    1       -3.796  -1.580  -1.117  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1       -2.680  -0.762  -1.006  0.00  0.00    +0.043 A 
ATOM     22  C   LIG    1       -2.804   0.488  -0.397  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1       -4.060   0.856   0.088  0.00  0.00    +0.056 A 
BRANCH  18  27
ATOM     24  C   LIG    1       -8.784  -0.482   0.747  0.00  0.00    +0.128 C 
ATOM     25  N   LIG    1       -7.454  -0.599   0.218  0.00  0.00    -0.313 N 
ATOM     26  H   LIG    1       -7.133  -1.475  -0.186  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -6.478   0.348   0.451  0.00  0.00    +0.262 C 
ATOM     28  O   LIG    1       -6.672   1.409   1.032  0.00  0.00    -0.269 OA
ENDBRANCH  18  27
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 4