REMARK  Name = BDB012146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.204  -0.155  -0.047  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.128  -0.402   0.803  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1        0.050  -1.682   1.564  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        0.781   0.733   0.863  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.297   1.792   0.116  0.00  0.00    +0.059 A 
ATOM      6  S   LIG    1       -1.137   1.426  -0.717  0.00  0.00    -0.096 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.042   0.870   1.599  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        2.789  -0.280   1.679  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.542  -1.057   1.079  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.418   1.945   2.055  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.131  -0.291   2.214  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.116  -0.104   1.097  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.272  -1.298   0.201  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        4.596  -2.313   0.352  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        6.196  -1.199  -0.807  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.282  -2.015  -1.400  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        6.954  -0.083  -1.057  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        7.900  -0.144  -2.215  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        6.809   0.992  -0.269  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        5.871   0.991   0.847  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        5.838   2.274   1.630  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  24
ATOM     22  C   LIG    1       -3.011  -2.785  -2.124  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -2.111  -1.765  -1.504  0.00  0.00    -0.026 C 
ATOM     24  C   LIG    1       -2.308  -1.019  -0.392  0.00  0.00    -0.036 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.551  -1.119   0.488  0.00  0.00    +0.051 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.377   0.181   0.597  0.00  0.00    +0.089 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.975   0.646  -0.665  0.00  0.00    -0.298 NA
ATOM     28  C   LIG    1       -5.548   2.003  -0.537  0.00  0.00    +0.112 C 
ATOM     29  C   LIG    1       -7.071   2.004  -0.328  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1       -7.791   1.371  -1.395  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1       -7.009   0.396  -2.098  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1       -5.982  -0.299  -1.191  0.00  0.00    +0.112 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7