REMARK  Name = BDB031303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.354  -0.741   2.438  0.00  0.00    +0.222 C 
ATOM      2  N   LIG    1       -1.011  -0.241   1.326  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1       -0.617   0.596   0.911  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.638  -1.768   3.048  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.119  -0.797   0.651  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.553  -0.126  -0.505  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -3.633  -0.654  -1.175  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -4.285  -1.804  -0.743  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1       -5.321  -2.070  -1.630  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -5.975  -2.835  -1.596  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -5.322  -1.086  -2.629  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1       -6.088  -1.005  -3.572  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1       -3.892  -2.483   0.382  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1       -4.267  -0.211  -2.331  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -4.035   0.593  -2.891  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -2.792  -1.965   1.083  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  17
ATOM     17  C   LIG    1        0.783   0.149   2.925  0.00  0.00    +0.131 C 
BRANCH  17  21
ATOM     18  C   LIG    1        3.566   1.323  -0.146  0.00  0.00    +0.105 A 
ATOM     19  C   LIG    1        2.882   2.303   0.577  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        1.986   1.920   1.576  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        1.762   0.561   1.848  0.00  0.00    -0.039 A 
ATOM     22  C   LIG    1        2.459  -0.411   1.113  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.353  -0.034   0.111  0.00  0.00    +0.029 A 
BRANCH  18  24
ATOM     24  S   LIG    1        4.694   1.795  -1.431  0.00  0.00    +0.056 S 
ATOM     25  O   LIG    1        4.689   0.764  -2.440  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        4.474   3.189  -1.740  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        6.170   1.735  -0.625  0.00  0.00    -0.204 NA
ATOM     28  H   LIG    1        6.112   1.310   0.300  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        6.569   2.674  -0.591  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  18  24
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5