REMARK  Name = BDB004991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.786  -1.132  -0.656  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        2.682   0.256   0.232  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        1.426  -0.369   0.325  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        0.564  -0.463  -0.781  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1        0.968   0.089  -2.001  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        2.209   0.709  -2.113  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        3.059   0.786  -1.005  0.00  0.00    +0.023 A 
BRANCH   2   8
ATOM      8  N   LIG    1        3.496   0.268   1.380  0.00  0.00    -0.294 N 
ATOM      9  H   LIG    1        2.974   0.469   2.226  0.00  0.00    +0.154 HD
BRANCH   8  12
ATOM     10  C   LIG    1        7.271   0.518   1.396  0.00  0.00    +0.025 A 
ATOM     11  S   LIG    1        6.024  -0.050   0.369  0.00  0.00    -0.056 S 
ATOM     12  C   LIG    1        4.830   0.459   1.511  0.00  0.00    +0.163 A 
ATOM     13  N   LIG    1        5.332   0.974   2.614  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1        6.710   1.030   2.545  0.00  0.00    +0.125 A 
BRANCH  10  15
ATOM     15  C   LIG    1        8.706   0.421   1.010  0.00  0.00    +0.122 C 
BRANCH  15  16
ATOM     16  N   LIG    1        9.229  -0.915   1.270  0.00  0.00    -0.326 NA
ATOM     17  H   LIG    1        8.682  -1.590   0.735  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1        9.078  -1.151   2.249  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   8  12
ENDBRANCH   2   8
ENDBRANCH   1   4
BRANCH   1  19
ATOM     19  N   LIG    1       -1.821  -0.107  -0.710  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -1.643   0.623  -0.026  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.142  -0.577  -0.556  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1       -4.213   0.341  -0.594  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -5.506  -0.190  -0.419  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -6.590   0.715  -0.436  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -6.389   2.095  -0.634  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.115   2.603  -0.822  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1       -5.679  -1.520  -0.246  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1       -4.594  -2.302  -0.259  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1       -4.035   1.732  -0.804  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1       -3.335  -1.896  -0.406  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1       -8.014   0.292  -0.253  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1       -8.934   1.105  -0.279  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1       -8.282  -1.029  -0.054  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1       -9.241  -1.325   0.053  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1       -7.535  -1.717  -0.051  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8