REMARK  Name = BDB033693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.363   3.110  -2.260  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.101   1.980  -1.523  0.00  0.00    +0.237 A 
ATOM      3  N   LIG    1        0.133   1.633  -1.103  0.00  0.00    -0.178 NA
ATOM      4  C   LIG    1        1.152   2.434  -1.437  0.00  0.00    +0.223 A 
ATOM      5  N   LIG    1        0.991   3.560  -2.153  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.261   3.873  -2.551  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -3.711   3.808  -3.075  0.00  0.00    -0.191 NA
ATOM      8  C   LIG    1       -2.664   3.478  -2.699  0.00  0.00    +0.106 C 
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  N   LIG    1        2.460   2.171  -1.044  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        3.062   2.901  -1.399  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.083   1.097  -0.398  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        2.424  -0.085  -0.038  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        3.091  -1.113   0.639  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        4.433  -0.955   0.980  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1        5.117   0.208   0.633  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        4.438   1.226  -0.045  0.00  0.00    +0.025 A 
BRANCH  14  17
ATOM     17  S   LIG    1        5.271  -2.258   1.840  0.00  0.00    +0.056 S 
ATOM     18  O   LIG    1        6.692  -1.999   1.796  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        4.696  -3.518   1.435  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        4.808  -1.961   3.432  0.00  0.00    -0.204 NA
ATOM     21  H   LIG    1        5.638  -1.715   3.975  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        4.076  -1.257   3.514  0.00  0.00    +0.144 HD
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   4   9
BRANCH   2  23
ATOM     23  O   LIG    1       -2.175   1.181  -1.180  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -1.808  -0.058  -0.559  0.00  0.00    +0.240 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.085  -0.888  -0.274  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1       -4.004  -0.192   0.744  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -3.375  -0.482   2.104  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -2.573  -1.772   1.936  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -2.724  -2.183   0.473  0.00  0.00    +0.012 C 
BRANCH  25  30
ATOM     30  C   LIG    1       -3.840  -1.176  -1.581  0.00  0.00    +0.166 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -3.016  -1.917  -2.473  0.00  0.00    -0.394 OA
ATOM     32  H   LIG    1       -3.539  -2.071  -3.280  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 10