REMARK  Name = BDB012082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.496  -0.294   0.324  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.531   0.599  -0.145  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1        0.525   1.260  -1.489  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        1.502   0.795   0.837  0.00  0.00    +0.079 A 
ATOM      5  S   LIG    1        1.098   0.007   2.307  0.00  0.00    -0.090 S 
ATOM      6  C   LIG    1       -0.313  -0.666   1.635  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.746   1.554   0.801  0.00  0.00    +0.251 C 
ATOM      8  N   LIG    1        3.421   1.481  -0.400  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.128   0.786  -1.075  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        3.197   2.184   1.754  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.750   2.020  -0.573  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.763   0.944  -0.310  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.857  -0.096  -1.389  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.118  -0.081  -2.370  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        6.801  -1.076  -1.221  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.846  -1.768  -1.959  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        7.630  -1.176  -0.132  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        8.588  -2.326  -0.105  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        7.540  -0.258   0.841  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        6.587   0.841   0.757  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        6.621   1.781   1.931  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  N   LIG    1       -1.566  -0.722  -0.413  0.00  0.00    -0.326 N 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.913  -0.234  -0.039  0.00  0.00    +0.074 C 
ATOM     24  C   LIG    1       -3.668  -1.272   0.805  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -5.194  -1.178   0.678  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -5.667   0.281   0.516  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1       -5.070   0.861  -0.794  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -3.746   0.229  -1.233  0.00  0.00    +0.024 C 
BRANCH  26  29
ATOM     29  N   LIG    1       -7.144   0.445   0.523  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1       -7.530   1.863   0.489  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1       -7.782  -0.183   1.685  0.00  0.00    +0.104 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
BRANCH  22  33
ATOM     32  C   LIG    1       -1.926  -2.809  -1.705  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -1.326  -1.412  -1.688  0.00  0.00    +0.102 C 
ENDBRANCH  22  33
ENDBRANCH   1  22
TORSDOF 7