REMARK  Name = BDB034083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.092   2.978   0.478  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1       -2.518   0.974   0.630  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -2.632   1.071  -0.371  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -1.509   1.694   1.234  0.00  0.00    +0.231 C 
ATOM      5  O   LIG    1       -1.017   1.385   2.319  0.00  0.00    -0.274 OA
BRANCH   2   6
ATOM      6  C   LIG    1       -2.951  -0.323   1.154  0.00  0.00    +0.089 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -4.476  -0.548   0.927  0.00  0.00    +0.007 C 
ATOM      8  C   LIG    1       -5.276   0.515   1.697  0.00  0.00    +0.009 C 
BRANCH   7  10
ATOM      9  C   LIG    1       -6.383  -0.878  -0.765  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1       -4.897  -0.610  -0.557  0.00  0.00    +0.002 C 
ENDBRANCH   7  10
ENDBRANCH   6   7
BRANCH   6  11
ATOM     11  C   LIG    1       -2.056  -1.460   0.593  0.00  0.00    +0.100 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -1.758  -1.319  -0.841  0.00  0.00    -0.328 NA
ATOM     13  H   LIG    1       -1.300  -2.172  -1.160  0.00  0.00    +0.118 HD
ATOM     14  H   LIG    1       -1.019  -0.605  -0.928  0.00  0.00    +0.118 HD
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   2   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  N   LIG    1       -0.261   3.833   1.364  0.00  0.00    -0.320 NA
ATOM     16  H   LIG    1        0.524   3.259   1.690  0.00  0.00    +0.119 HD
ATOM     17  H   LIG    1       -0.795   3.985   2.225  0.00  0.00    +0.119 HD
ENDBRANCH   1  15
BRANCH   1  18
ATOM     18  C   LIG    1       -0.410   2.692  -0.867  0.00  0.00    +0.090 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.754   1.753  -0.766  0.00  0.00    +0.081 A 
ATOM     20  S   LIG    1        2.346   2.355  -0.546  0.00  0.00    -0.072 S 
ATOM     21  C   LIG    1        2.956   0.746  -0.538  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        1.896  -0.141  -0.719  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1        2.171  -1.521  -0.747  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        3.487  -1.975  -0.592  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.546  -1.078  -0.410  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        4.281   0.303  -0.383  0.00  0.00    +0.021 A 
ATOM     27  N   LIG    1        0.645   0.445  -0.860  0.00  0.00    -0.244 NA
BRANCH  25  28
ATOM     28  C   LIG    1        5.961  -1.611  -0.245  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        6.879  -1.132  -1.372  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        6.542  -1.249   1.124  0.00  0.00    +0.012 C 
ENDBRANCH  25  28
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10