REMARK  Name = BDB033742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.697   1.334   2.097  0.00  0.00    +0.110 A 
ATOM      2  C   LIG    1       -1.946   0.556   0.977  0.00  0.00    +0.144 A 
ATOM      3  N   LIG    1       -0.932  -0.006   0.282  0.00  0.00    -0.198 NA
ATOM      4  C   LIG    1        0.334   0.204   0.682  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1        0.646   0.956   1.744  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.375   1.500   2.433  0.00  0.00    +0.136 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -3.275   0.330   0.543  0.00  0.00    -0.312 N 
ATOM      8  C   LIG    1       -3.430  -0.971  -0.144  0.00  0.00    +0.137 C 
ATOM      9  C   LIG    1       -4.919  -1.233  -0.432  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -5.523  -0.078  -1.233  0.00  0.00    +0.034 C 
ATOM     11  C   LIG    1       -5.252   1.264  -0.559  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1       -3.761   1.456  -0.276  0.00  0.00    +0.107 C 
BRANCH   9  13
ATOM     13  O   LIG    1       -5.068  -2.444  -1.171  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -6.022  -2.606  -1.273  0.00  0.00    +0.210 HD
ENDBRANCH   9  13
ENDBRANCH   2   7
BRANCH   1  16
ATOM     15  N   LIG    1       -3.522   2.439   3.557  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -2.720   1.923   2.894  0.00  0.00    +0.104 C 
ENDBRANCH   1  16
BRANCH   4  17
ATOM     17  N   LIG    1        1.305  -0.411  -0.102  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        0.845  -0.943  -0.828  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.695  -0.531  -0.014  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        3.463   0.018   1.021  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        4.856  -0.113   1.044  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        5.501  -0.789   0.009  0.00  0.00    +0.105 A 
ATOM     23  C   LIG    1        4.765  -1.350  -1.033  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        3.373  -1.213  -1.041  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  S   LIG    1        7.264  -0.962   0.027  0.00  0.00    +0.056 S 
ATOM     26  O   LIG    1        7.617  -2.143  -0.724  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1        7.737  -0.724   1.371  0.00  0.00    -0.153 OA
BRANCH  25  28
ATOM     28  N   LIG    1        7.740   0.383  -0.867  0.00  0.00    -0.204 NA
ATOM     29  H   LIG    1        6.961   0.864  -1.316  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        8.274   1.008  -0.260  0.00  0.00    +0.144 HD
ENDBRANCH  25  28
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 7