REMARK  Name = BDB060128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.437  -0.191   0.382  0.00  0.00    -0.192 N 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.826  -0.170   0.598  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.034   0.426   1.588  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        0.638   0.435   1.489  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        0.008  -0.132   0.381  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        0.783  -0.768  -0.591  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.179  -0.777  -0.484  0.00  0.00    +0.025 A 
BRANCH   2   8
ATOM      8  N   LIG    1        4.221  -0.189   0.765  0.00  0.00    -0.314 N 
ATOM      9  H   LIG    1        4.581   0.601   1.290  0.00  0.00    +0.152 HD
BRANCH   8  12
ATOM     10  C   LIG    1        7.514  -1.333  -0.514  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1        6.501  -0.529   0.019  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        5.216  -1.046   0.260  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.967  -2.386  -0.057  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        5.972  -3.196  -0.586  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.241  -2.668  -0.812  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1        9.118   0.423  -0.543  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        8.795  -0.939  -0.788  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   8  12
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  S   LIG    1       -2.176   0.276  -1.091  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1       -2.419  -0.989  -1.769  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -1.409   1.328  -1.722  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.752   1.015  -0.633  0.00  0.00    +0.115 A 
ATOM     22  C   LIG    1       -3.836   1.881   0.483  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1       -2.658   2.344   1.295  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1       -5.102   2.347   0.886  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -6.262   2.009   0.187  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1       -7.595   2.537   0.626  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -6.151   1.231  -0.966  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -4.907   0.741  -1.405  0.00  0.00    -0.023 A 
ATOM     29  C   LIG    1       -4.902  -0.047  -2.688  0.00  0.00    +0.046 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
BRANCH   1  30
ATOM     30  C   LIG    1       -1.957  -1.424   1.043  0.00  0.00    +0.251 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.441  -1.682   1.068  0.00  0.00    +0.324 C 
ATOM     32  O   LIG    1       -4.152  -1.455   2.038  0.00  0.00    -0.249 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -3.936  -2.218  -0.072  0.00  0.00    -0.479 OA
ATOM     34  H   LIG    1       -3.304  -2.215  -0.833  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 9