REMARK  Name = BDB046107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.545  -0.025   0.699  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -0.674  -0.266   0.083  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -1.064  -1.474  -0.704  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -2.527  -1.843  -0.480  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -3.451  -0.951  -1.155  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -4.167  -1.371  -1.736  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.715   0.369  -0.897  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -2.855   1.196  -0.013  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.380   2.421   0.449  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.631   3.276   1.254  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.327   2.946   1.619  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -0.807   1.734   1.150  0.00  0.00    +0.048 A 
ATOM     13  O   LIG    1       -4.709   0.870  -1.422  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -1.533   0.851   0.347  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1        0.434   1.180   1.350  0.00  0.00    -0.354 N 
ATOM     16  H   LIG    1        1.171   1.609   1.891  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.597  -1.069  -0.353  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        1.774  -0.820   0.765  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        2.133  -1.363   2.012  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        3.281  -2.143   2.152  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.086  -2.395   1.047  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.744  -1.865  -0.198  0.00  0.00    +0.015 A 
BRANCH  17  24
ATOM     23  C   LIG    1        2.774   1.280  -1.766  0.00  0.00    +0.090 C 
ATOM     24  S   LIG    1        2.278  -0.445  -2.004  0.00  0.00    -0.128 S 
ENDBRANCH  17  24
ENDBRANCH   1  18
TORSDOF 2