REMARK  Name = BDB052541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.478   0.266  -0.237  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.128   1.348  -0.885  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.523   1.516  -0.890  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.379   0.618  -0.243  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.761  -0.464   0.399  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.366  -0.636   0.405  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.758   0.769  -0.246  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1       -4.432   1.701  -1.165  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -5.904   1.297  -1.367  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -6.658   1.262  -0.084  0.00  0.00    -0.178 NA
ATOM     11  C   LIG    1       -5.822   1.092   1.135  0.00  0.00    +0.128 C 
ATOM     12  C   LIG    1       -4.560   0.248   0.876  0.00  0.00    +0.122 C 
BRANCH  10  13
ATOM     13  S   LIG    1       -8.202   0.599  -0.108  0.00  0.00    +0.029 S 
ATOM     14  O   LIG    1       -8.833   0.987  -1.351  0.00  0.00    -0.158 OA
ATOM     15  O   LIG    1       -8.824   0.876   1.169  0.00  0.00    -0.158 OA
ATOM     16  C   LIG    1       -7.882  -1.153  -0.182  0.00  0.00    +0.215 C 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  N   LIG    1        1.870   0.159  -0.265  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        2.373   0.867  -0.779  0.00  0.00    +0.155 HD
BRANCH  17  21
ATOM     19  C   LIG    1        5.009  -1.335   0.434  0.00  0.00    +0.084 A 
ATOM     20  N   LIG    1        4.067  -0.483  -0.025  0.00  0.00    -0.214 NA
ATOM     21  C   LIG    1        2.783  -0.757   0.248  0.00  0.00    +0.220 A 
ATOM     22  N   LIG    1        2.399  -1.826   0.959  0.00  0.00    -0.223 NA
ATOM     23  C   LIG    1        3.360  -2.651   1.407  0.00  0.00    +0.116 A 
ATOM     24  C   LIG    1        4.696  -2.454   1.173  0.00  0.00    +0.049 A 
BRANCH  19  28
ATOM     25  C   LIG    1       10.140  -1.294  -0.882  0.00  0.00    +0.073 C 
ATOM     26  C   LIG    1        8.742  -0.931  -0.524  0.00  0.00    +0.076 A 
ATOM     27  S   LIG    1        7.590  -2.155  -0.202  0.00  0.00    -0.071 S 
ATOM     28  C   LIG    1        6.385  -0.958   0.089  0.00  0.00    +0.060 A 
ATOM     29  C   LIG    1        6.951   0.300  -0.089  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        6.277   1.619   0.056  0.00  0.00    +0.067 C 
ATOM     31  N   LIG    1        8.298   0.301  -0.430  0.00  0.00    -0.249 NA
ENDBRANCH  19  28
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5