REMARK  Name = BDB012104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.330  -1.783   1.909  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        0.211  -2.344   1.178  0.00  0.00    -0.027 A 
ATOM      3  C   LIG    1        0.374  -3.111  -0.100  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.008  -2.078   1.801  0.00  0.00    +0.010 A 
ATOM      5  S   LIG    1       -0.785  -1.160   3.236  0.00  0.00    -0.099 S 
ATOM      6  C   LIG    1        0.905  -1.153   3.062  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.520  -0.782   1.521  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1        4.472  -0.972   1.236  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        2.736  -1.908   1.530  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1        3.226  -2.980   1.182  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.061   0.595   1.522  0.00  0.00    +0.145 C 
BRANCH  11  18
ATOM     12  C   LIG    1        7.188   4.196  -0.443  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1        6.112   3.241  -0.029  0.00  0.00    +0.016 A 
ATOM     14  N   LIG    1        5.799   3.192   1.307  0.00  0.00    -0.326 N 
ATOM     15  H   LIG    1        6.287   3.788   1.965  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        4.845   2.372   1.855  0.00  0.00    +0.254 A 
ATOM     17  O   LIG    1        4.615   2.384   3.060  0.00  0.00    -0.268 OA
ATOM     18  C   LIG    1        4.109   1.473   0.907  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.411   1.540  -0.411  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1        3.749   0.725  -1.489  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        5.449   2.445  -0.881  0.00  0.00    +0.024 A 
ENDBRANCH  11  18
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   4  22
ATOM     22  C   LIG    1       -2.402  -2.498   1.329  0.00  0.00    +0.091 C 
ATOM     23  C   LIG    1       -3.431  -2.675   2.458  0.00  0.00    +0.030 C 
BRANCH  22  24
ATOM     24  N   LIG    1       -2.851  -1.660   0.196  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -3.028  -0.236   0.510  0.00  0.00    +0.086 C 
ATOM     26  C   LIG    1       -3.887   0.522  -0.517  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1       -3.708  -0.079  -1.917  0.00  0.00    +0.058 C 
ATOM     28  C   LIG    1       -4.128  -1.565  -1.909  0.00  0.00    +0.034 C 
ATOM     29  C   LIG    1       -3.993  -2.215  -0.525  0.00  0.00    +0.086 C 
BRANCH  27  30
ATOM     30  N   LIG    1       -4.361   0.640  -3.034  0.00  0.00    -0.305 NA
ATOM     31  C   LIG    1       -3.588   1.812  -3.448  0.00  0.00    +0.104 C 
ATOM     32  C   LIG    1       -5.747   1.026  -2.770  0.00  0.00    +0.104 C 
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 6