REMARK  Name = BDB061001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.908  -0.455   0.680  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.171   0.383  -0.212  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -1.097  -0.147  -0.982  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -0.387   0.747  -1.838  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -0.744   2.100  -1.951  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -1.794   2.602  -1.202  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -0.816  -1.529  -0.833  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.537  -2.346   0.035  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.487   1.755  -0.342  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.573  -1.812   0.786  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.966  -0.228   2.851  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1       -3.993   0.089   1.422  0.00  0.00    -0.336 N 
ATOM     13  C   LIG    1       -5.270  -0.204   0.763  0.00  0.00    +0.129 C 
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  S   LIG    1        1.032   0.220  -2.790  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1        1.555   1.368  -3.501  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        0.688  -0.997  -3.489  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1        2.155  -0.175  -1.616  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1        2.142  -1.141  -1.299  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.579   0.849  -0.669  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.686   0.328   0.214  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1        4.992   0.214  -0.285  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        6.015  -0.288   0.520  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.742  -0.689   1.827  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.446  -0.591   2.329  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.420  -0.089   1.526  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   4  14
TORSDOF 5