REMARK  Name = BDB028622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.007   1.804  -0.679  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1        0.218   2.335   0.164  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.553   0.531  -0.783  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1        1.531   0.022   0.111  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        1.777  -1.252  -0.363  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1        2.682  -2.146   0.201  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.376  -1.697   1.336  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        3.137  -0.403   1.847  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1        0.999  -1.485  -1.453  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        2.222   0.482   1.248  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1        0.226  -0.367  -1.716  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1        1.939   1.748   1.686  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        2.773   2.275   2.712  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1        4.377  -2.605   2.017  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.734  -2.089   1.903  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        6.280  -1.390   2.922  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        7.507  -1.098   2.481  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        7.751  -1.609   1.193  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        6.586  -2.250   0.846  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1       -1.391   2.282  -1.455  0.00  0.00    +0.077 S 
ATOM     21  O   LIG    1       -1.783   3.549  -0.868  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -1.140   2.187  -2.878  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -2.691   0.750   0.406  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -2.625   1.091  -0.957  0.00  0.00    +0.153 A 
ATOM     25  C   LIG    1       -3.499   0.468  -1.872  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1       -3.623   0.828  -3.335  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -5.070   0.755  -3.837  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.871  -0.459  -3.366  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.108  -1.385  -2.428  0.00  0.00    +0.035 C 
ATOM     30  C   LIG    1       -4.304  -0.604  -1.419  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -4.300  -0.983  -0.073  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.511  -0.294   0.840  0.00  0.00    +0.048 A 
BRANCH  23  34
ATOM     33  C   LIG    1       -2.689   2.274   2.133  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -1.905   1.380   1.338  0.00  0.00    -0.493 OA
ENDBRANCH  23  34
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7