REMARK  Name = BDB003737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.621   2.361  -1.430  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -0.940   1.179  -1.738  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.408  -0.052  -1.271  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.582  -0.098  -0.516  0.00  0.00    +0.111 A 
ATOM      5  C   LIG    1       -3.281   1.075  -0.216  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -2.803   2.300  -0.687  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   4   7
ATOM      7  S   LIG    1       -3.155  -1.647   0.137  0.00  0.00    +0.080 S 
ATOM      8  O   LIG    1       -2.030  -2.558   0.209  0.00  0.00    -0.148 OA
ATOM      9  O   LIG    1       -3.965  -1.360   1.301  0.00  0.00    -0.148 OA
BRANCH   7  10
ATOM     10  N   LIG    1       -4.199  -2.172  -1.047  0.00  0.00    -0.226 N 
ATOM     11  H   LIG    1       -5.166  -2.022  -0.783  0.00  0.00    +0.191 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -3.907  -2.797  -2.240  0.00  0.00    +0.208 C 
ATOM     13  N   LIG    1       -4.848  -3.084  -3.057  0.00  0.00    -0.268 NA
ATOM     14  H   LIG    1       -5.745  -2.769  -2.688  0.00  0.00    +0.190 HD
BRANCH  12  15
ATOM     15  N   LIG    1       -2.625  -3.099  -2.490  0.00  0.00    -0.369 N 
ATOM     16  H   LIG    1       -2.544  -3.775  -3.240  0.00  0.00    +0.159 HD
ATOM     17  H   LIG    1       -2.083  -3.364  -1.669  0.00  0.00    +0.159 HD
ENDBRANCH  12  15
ENDBRANCH  10  12
ENDBRANCH   7  10
ENDBRANCH   4   7
BRANCH   1  19
ATOM     18  C   LIG    1       -0.276   4.249  -1.171  0.00  0.00    +0.092 C 
ATOM     19  N   LIG    1       -1.137   3.589  -1.888  0.00  0.00    -0.259 NA
BRANCH  18  20
ATOM     20  C   LIG    1        0.280   3.861   0.174  0.00  0.00    +0.127 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.646   3.233   0.048  0.00  0.00    +0.168 C 
ATOM     22  O   LIG    1        2.528   3.802  -0.598  0.00  0.00    -0.292 OA
BRANCH  21  26
ATOM     23  C   LIG    1        2.716  -0.539   1.864  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        1.395  -0.089   1.930  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        1.016   1.134   1.363  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        1.963   1.927   0.708  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        3.288   1.469   0.641  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        3.663   0.248   1.216  0.00  0.00    +0.046 A 
BRANCH  23  29
ATOM     29  O   LIG    1        2.931  -1.747   2.460  0.00  0.00    -0.492 OA
BRANCH  29  31
ATOM     30  C   LIG    1        4.530  -3.076   1.208  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1        4.250  -2.290   2.477  0.00  0.00    +0.225 C 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  19
TORSDOF 10