REMARK  Name = BDB001054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.101  -0.678  -0.961  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.762  -0.107   0.134  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.897  -0.723   0.680  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.341  -1.933   0.126  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.695  -2.492  -0.980  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.583  -1.859  -1.534  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      7  N   LIG    1        4.784  -0.593  -0.841  0.00  0.00    -0.178 NA
ATOM      8  C   LIG    1        4.268   0.542  -1.668  0.00  0.00    +0.128 C 
ATOM      9  C   LIG    1        3.227   0.013  -2.670  0.00  0.00    +0.125 C 
ATOM     10  N   LIG    1        2.158  -0.719  -1.982  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1        1.068   0.033  -1.536  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        1.026   1.259  -1.609  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        2.671  -1.849  -1.189  0.00  0.00    +0.125 C 
ATOM     14  C   LIG    1        3.704  -1.353  -0.154  0.00  0.00    +0.128 C 
BRANCH   7  15
ATOM     15  S   LIG    1        6.265  -0.402  -0.069  0.00  0.00    +0.032 S 
ATOM     16  O   LIG    1        6.597  -1.658   0.568  0.00  0.00    -0.158 OA
ATOM     17  O   LIG    1        7.168   0.195  -1.032  0.00  0.00    -0.158 OA
BRANCH  15  19
ATOM     18  C   LIG    1        5.408   0.258   2.491  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1        5.953   0.829   1.199  0.00  0.00    +0.182 C 
ENDBRANCH  15  19
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  C   LIG    1       -2.602  -0.105   1.866  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.112   0.000   1.690  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1       -4.690   1.055   0.818  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -6.078   1.085   0.693  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -6.703   2.047  -0.111  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -5.932   2.984  -0.796  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.543   2.960  -0.675  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.887   0.093   1.419  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1       -8.110   0.082   1.340  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -6.192  -0.809   2.185  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1       -6.735  -1.500   2.695  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1       -3.921   2.001   0.130  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1       -4.841  -0.870   2.326  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5