REMARK  Name = BDB063720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.630  -1.020  -0.953  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1       -2.583  -2.041  -1.343  0.00  0.00    +0.108 C 
ATOM      3  S   LIG    1       -0.901  -1.377  -1.190  0.00  0.00    -0.131 S 
ATOM      4  C   LIG    1       -1.254   0.055  -2.262  0.00  0.00    +0.169 C 
ATOM      5  N   LIG    1       -2.337   0.850  -1.680  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -1.530   1.841  -1.221  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1       -1.726   2.688  -0.380  0.00  0.00    -0.273 OA
ATOM      8  CA  LIG    1       -0.343   1.311  -2.070  0.00  0.00    +0.191 C 
ATOM      9  CA  LIG    1       -3.464   0.318  -1.100  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1        0.945   1.134  -1.363  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        1.049   1.352  -0.377  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1        2.023   0.531  -1.977  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        1.973   0.179  -3.154  0.00  0.00    -0.267 OA
BRANCH  12  14
ATOM     14  C   LIG    1        3.175   0.359  -1.121  0.00  0.00    +0.190 A 
ATOM     15  O   LIG    1        3.112   0.783   0.182  0.00  0.00    -0.453 OA
ATOM     16  C   LIG    1        4.315   0.495   0.759  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1        5.149  -0.105  -0.161  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        4.417  -0.193  -1.368  0.00  0.00    +0.055 A 
BRANCH  16  19
ATOM     19  C   LIG    1        4.476   0.864   2.188  0.00  0.00    +0.233 C 
BRANCH  19  20
ATOM     20  O   LIG    1        4.769  -0.318   2.935  0.00  0.00    -0.375 OA
ATOM     21  C   LIG    1        3.600  -1.050   3.282  0.00  0.00    +0.194 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  12  14
ENDBRANCH   8  10
BRANCH   1  23
ATOM     22  C   LIG    1       -5.198  -1.466   0.904  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -4.810  -1.642  -0.366  0.00  0.00    -0.001 C 
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -4.583   1.251  -0.731  0.00  0.00    +0.352 C 
ATOM     25  O   LIG    1       -5.734   1.096  -1.117  0.00  0.00    -0.244 OA
BRANCH  24  26
ATOM     26  OXT LIG    1       -4.231   2.282   0.063  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1       -3.265   2.414   0.191  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   9  24
TORSDOF 7