REMARK  Name = BDB047998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.358  -0.299  -0.160  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.831  -0.214  -0.769  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.958  -0.590  -0.105  0.00  0.00    +0.163 A 
ATOM      4  N   LIG    1       -3.189  -0.489  -0.802  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -4.244   0.267  -0.251  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -4.771  -0.048   1.007  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1       -4.363  -1.243   1.781  0.00  0.00    +0.261 A 
ATOM      8  N   LIG    1       -3.022  -1.616   1.923  0.00  0.00    -0.307 N 
ATOM      9  C   LIG    1       -2.743  -2.631   2.940  0.00  0.00    +0.152 C 
ATOM     10  O   LIG    1       -5.266  -1.824   2.392  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -5.819   0.720   1.558  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -6.340   1.815   0.877  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.827   2.145  -0.368  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.797   1.379  -0.923  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.016  -0.434  -2.257  0.00  0.00    +0.151 C 
ATOM     16  C   LIG    1       -1.907  -1.087   1.195  0.00  0.00    +0.106 A 
ATOM     17  C   LIG    1       -0.625  -1.135   1.722  0.00  0.00    +0.144 A 
ATOM     18  N   LIG    1        0.498  -0.747   1.086  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  19
ATOM     19  N   LIG    1        1.440   0.139  -0.919  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1        1.094   0.432  -1.819  0.00  0.00    +0.155 HD
BRANCH  19  23
ATOM     21  C   LIG    1        3.101   1.540  -2.846  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1        3.667   0.804  -1.659  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1        2.832   0.111  -0.746  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        3.440  -0.536   0.342  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        4.826  -0.528   0.523  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        5.630   0.155  -0.384  0.00  0.00    +0.105 A 
ATOM     27  C   LIG    1        5.063   0.811  -1.476  0.00  0.00    +0.033 A 
BRANCH  26  28
ATOM     28  S   LIG    1        7.386   0.168  -0.149  0.00  0.00    +0.056 S 
ATOM     29  O   LIG    1        8.008   0.673  -1.351  0.00  0.00    -0.153 OA
ATOM     30  O   LIG    1        7.775  -1.079   0.464  0.00  0.00    -0.153 OA
BRANCH  28  31
ATOM     31  N   LIG    1        7.562   1.391   0.996  0.00  0.00    -0.204 NA
ATOM     32  H   LIG    1        8.088   2.161   0.578  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1        6.674   1.705   1.389  0.00  0.00    +0.144 HD
ENDBRANCH  28  31
ENDBRANCH  26  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 4