REMARK  Name = BDB003346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.228   0.166  -0.034  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -3.063  -1.164   0.310  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -2.107  -2.256  -0.004  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -2.295  -3.433   0.981  0.00  0.00    +0.188 C 
ATOM      5  C   LIG    1       -3.773  -3.727   1.195  0.00  0.00    +0.209 C 
ATOM      6  O   LIG    1       -4.626  -2.695   1.416  0.00  0.00    -0.421 OA
ATOM      7  N   LIG    1       -4.251  -4.929   1.226  0.00  0.00    -0.269 NA
ATOM      8  H   LIG    1       -3.529  -5.642   1.091  0.00  0.00    +0.190 HD
ATOM      9  C   LIG    1       -4.235  -1.473   1.018  0.00  0.00    +0.244 A 
ATOM     10  N   LIG    1       -5.046  -0.443   1.200  0.00  0.00    -0.135 NA
ATOM     11  N   LIG    1       -4.402   0.556   0.572  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1       -4.837   1.474   0.559  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -0.689  -1.725  -0.114  0.00  0.00    -0.038 A 
ATOM     14  C   LIG    1       -0.058  -0.982   0.898  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        1.299  -0.606   0.808  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        2.031  -0.943  -0.342  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1        1.405  -1.652  -1.369  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        0.067  -2.046  -1.251  0.00  0.00    +0.008 A 
BRANCH  16  19
ATOM     19  O   LIG    1        3.343  -0.550  -0.356  0.00  0.00    -0.495 OA
ATOM     20  C   LIG    1        4.106  -0.847  -1.518  0.00  0.00    +0.277 C 
ENDBRANCH  16  19
BRANCH  15  21
ATOM     21  C   LIG    1        1.936   0.129   1.967  0.00  0.00    +0.115 C 
BRANCH  21  22
ATOM     22  S   LIG    1        1.609   1.909   1.968  0.00  0.00    -0.095 S 
BRANCH  22  23
ATOM     23  C   LIG    1        2.760   2.417   0.784  0.00  0.00    +0.126 C 
ATOM     24  S   LIG    1        4.433   2.576   1.241  0.00  0.00    -0.098 S 
ATOM     25  C   LIG    1        4.715   3.602  -0.211  0.00  0.00    +0.099 C 
ATOM     26  C   LIG    1        3.627   3.136  -1.166  0.00  0.00    +0.154 C 
ATOM     27  N   LIG    1        2.415   2.770  -0.409  0.00  0.00    -0.270 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   3  13
BRANCH   4  28
ATOM     28  C   LIG    1       -1.694  -3.237   2.309  0.00  0.00    +0.076 C 
ATOM     29  N   LIG    1       -1.202  -3.106   3.352  0.00  0.00    -0.196 NA
ENDBRANCH   4  28
BRANCH   1  30
ATOM     30  C   LIG    1       -2.457   1.108  -0.897  0.00  0.00    +0.055 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -1.051   3.192  -0.993  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -1.865   2.269  -0.101  0.00  0.00    +0.003 C 
ENDBRANCH  30  32
ENDBRANCH   1  30
TORSDOF 8