REMARK  Name = BDB062616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.161   2.010  -1.727  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.503   3.192  -2.490  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.609   0.939  -2.323  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1        7.365  -0.894   1.305  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        6.321   0.121   0.903  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1        5.148  -0.408   0.394  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1        4.048   0.332  -0.075  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        3.035  -0.531  -0.502  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1        1.839  -0.048  -1.010  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        1.673   1.339  -1.081  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1        2.690   2.216  -0.668  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.422  -1.962  -0.313  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1        3.888   1.707  -0.155  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        4.854  -1.841   0.220  0.00  0.00    +0.118 C 
ATOM     15  O   LIG    1        6.554   1.320   1.049  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1       -0.623   2.561  -0.332  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1       -1.113   3.436  -0.520  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.294   1.598   0.470  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -2.610   1.241   0.178  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1       -3.260   0.246   0.923  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -2.560  -0.369   1.975  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -1.242  -0.009   2.265  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -0.606   0.971   1.507  0.00  0.00    +0.024 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.641  -0.149   0.608  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1       -4.972  -0.885  -0.552  0.00  0.00    -0.043 A 
ATOM     26  C   LIG    1       -3.925  -1.314  -1.548  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -6.317  -1.207  -0.806  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.323  -0.829   0.081  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.002  -0.118   1.232  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.673   0.220   1.491  0.00  0.00    +0.009 A 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4