REMARK  Name = BDB032953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.196  -0.446   1.281  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        1.238  -1.184   0.564  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.140  -0.871   0.573  0.00  0.00    -0.004 A 
ATOM      4  C   LIG    1       -0.556   0.226   1.352  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.378   0.936   2.118  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.733   0.595   2.087  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.063  -1.728  -0.191  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -0.956  -1.829  -1.589  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -1.848  -2.617  -2.321  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.856  -3.320  -1.665  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -2.970  -3.241  -0.280  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.078  -2.454   0.452  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1       -1.970   0.695   1.442  0.00  0.00    +0.249 C 
ATOM     14  N   LIG    1       -2.627   0.815   0.235  0.00  0.00    -0.276 N 
ATOM     15  H   LIG    1       -2.154   0.575  -0.627  0.00  0.00    +0.156 HD
ATOM     16  O   LIG    1       -2.422   0.976   2.546  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.943   1.188   0.124  0.00  0.00    +0.074 A 
ATOM     18  S   LIG    1       -4.525   1.193  -1.474  0.00  0.00    -0.051 S 
ATOM     19  C   LIG    1       -6.072   1.685  -0.961  0.00  0.00    +0.146 A 
ATOM     20  C   LIG    1       -6.147   1.845   0.405  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -4.900   1.553   1.040  0.00  0.00    +0.033 A 
BRANCH  19  22
ATOM     22  N   LIG    1       -7.173   1.902  -1.916  0.00  0.00    -0.023 NA
ATOM     23  O   LIG    1       -8.243   2.257  -1.410  0.00  0.00    -0.143 OA
ENDBRANCH  19  22
ENDBRANCH  14  17
ENDBRANCH   4  13
BRANCH   1  24
ATOM     24  N   LIG    1        3.519  -0.875   1.253  0.00  0.00    -0.344 N 
ATOM     25  H   LIG    1        3.746  -1.435   0.436  0.00  0.00    +0.146 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.628  -0.044   1.709  0.00  0.00    +0.101 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.930   1.112   0.751  0.00  0.00    +0.018 C 
BRANCH  27  29
ATOM     28  C   LIG    1        5.777   1.813  -1.517  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        5.412   0.638  -0.623  0.00  0.00    -0.002 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8