REMARK  Name = BDB033424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.079  -1.181   2.572  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.476  -1.446   3.475  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.802   1.740  -0.747  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.815   0.949   0.070  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.881   0.043  -0.501  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.998  -0.642   0.344  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -1.211  -1.448  -0.450  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.454  -2.023  -0.094  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.548  -1.298  -1.767  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -2.006  -0.487   1.733  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.914   0.416   2.283  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.579  -0.387  -1.833  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.802   1.117   1.470  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.205   0.030  -3.050  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.712   0.368  -4.038  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.390  -0.370   2.901  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        0.123   1.048   3.029  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        1.005  -1.110   3.986  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.496  -0.574   1.520  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.829   0.491   1.420  0.00  0.00    -0.047 S 
ATOM     21  C   LIG    1        3.352  -0.321   0.010  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1        2.484  -1.353  -0.284  0.00  0.00    +0.129 A 
ATOM     23  N   LIG    1        1.412  -1.505   0.581  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.614   0.045  -0.813  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.495   1.065  -0.544  0.00  0.00    +0.114 A 
ATOM     26  N   LIG    1        6.442   1.011  -1.526  0.00  0.00    -0.284 N 
ATOM     27  H   LIG    1        7.251   1.611  -1.653  0.00  0.00    +0.188 HD
ATOM     28  N   LIG    1        6.236   0.022  -2.413  0.00  0.00    -0.182 NA
ATOM     29  C   LIG    1        5.119  -0.567  -1.976  0.00  0.00    +0.143 A 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5