REMARK  Name = BDB002908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.342  -0.042  -0.375  0.00  0.00    -0.128 NA
ATOM      2  C   LIG    1        0.112  -0.133  -0.765  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1       -0.152  -0.081  -2.229  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.434  -0.283  -2.732  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.659  -0.246  -4.117  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.605   0.001  -4.997  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.678   0.207  -4.498  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.571  -0.553  -1.833  0.00  0.00    +0.208 C 
ATOM      9  O   LIG    1       -3.650  -0.880  -2.316  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1       -2.349  -0.425  -0.349  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1        0.906   0.166  -3.121  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -1.093  -0.275   0.099  0.00  0.00    +0.057 C 
ENDROOT
BRANCH   1  13
ATOM     13  S   LIG    1        1.772  -0.083   1.183  0.00  0.00    +0.099 S 
ATOM     14  O   LIG    1        1.286   1.119   1.834  0.00  0.00    -0.146 OA
ATOM     15  O   LIG    1        1.446  -1.385   1.732  0.00  0.00    -0.146 OA
BRANCH  13  19
ATOM     16  C   LIG    1        6.336   0.179   1.032  0.00  0.00    -0.048 A 
ATOM     17  C   LIG    1        5.570   1.330   1.272  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        4.177   1.258   1.315  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        3.547   0.028   1.114  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        4.295  -1.131   0.889  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        5.688  -1.051   0.848  0.00  0.00    +0.005 A 
BRANCH  16  23
ATOM     22  C   LIG    1        8.442   0.041   2.389  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        7.842   0.258   1.008  0.00  0.00    +0.032 C 
ENDBRANCH  16  23
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH  10  24
ATOM     24  N   LIG    1       -3.425  -0.584   0.518  0.00  0.00    -0.311 N 
ATOM     25  H   LIG    1       -3.155  -0.803   1.474  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.660   0.108   0.501  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -5.654  -0.302   1.404  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -6.915   0.312   1.426  0.00  0.00    +0.061 A 
ATOM     29  C   LIG    1       -7.199   1.344   0.528  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1       -6.228   1.750  -0.385  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -4.973   1.131  -0.400  0.00  0.00    +0.023 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -7.909  -0.168   2.414  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -7.725  -1.036   3.246  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -9.091   0.467   2.318  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -9.638   0.048   3.015  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  24  26
ENDBRANCH  10  24
TORSDOF 7