REMARK  Name = BDB004409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.962  -3.290   0.278  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        3.095  -1.847   0.078  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        1.912  -1.046   0.207  0.00  0.00    +0.087 A 
ATOM      4  C   LIG    1        1.687   0.151  -0.500  0.00  0.00    +0.160 A 
ATOM      5  N   LIG    1        0.491   0.808  -0.434  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.508   0.330   0.330  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.347  -0.815   1.083  0.00  0.00    +0.046 A 
ATOM      8  N   LIG    1        2.691   0.706  -1.333  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1        2.144   1.625  -2.335  0.00  0.00    +0.151 C 
ATOM     10  C   LIG    1        3.944   1.034  -0.776  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1        4.736   0.051  -0.173  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1        5.984   0.382   0.396  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        6.448   1.693   0.389  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.675   2.682  -0.200  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.443   2.355  -0.776  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        0.857  -1.509   1.009  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        4.389  -1.388  -0.197  0.00  0.00    +0.261 A 
ATOM     18  O   LIG    1        5.334  -2.168  -0.361  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   6  19
ATOM     19  N   LIG    1       -1.675   1.094   0.352  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1       -1.519   1.924  -0.212  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.032   0.736   0.437  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -3.963   1.742   0.743  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -5.325   1.455   0.875  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -5.767   0.146   0.692  0.00  0.00    +0.105 A 
ATOM     25  C   LIG    1       -4.860  -0.874   0.400  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1       -3.500  -0.574   0.273  0.00  0.00    +0.025 A 
BRANCH  24  27
ATOM     27  S   LIG    1       -7.488  -0.244   0.863  0.00  0.00    +0.056 S 
ATOM     28  O   LIG    1       -7.602  -1.600   1.344  0.00  0.00    -0.153 OA
ATOM     29  O   LIG    1       -8.150   0.869   1.503  0.00  0.00    -0.153 OA
BRANCH  27  30
ATOM     30  N   LIG    1       -8.000  -0.214  -0.741  0.00  0.00    -0.204 NA
ATOM     31  H   LIG    1       -8.678   0.542  -0.856  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -7.234  -0.144  -1.409  0.00  0.00    +0.144 HD
ENDBRANCH  27  30
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4