REMARK  Name = BDB048220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.914   1.498  -0.191  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        0.913   0.535   0.039  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.443   0.823  -0.233  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.750   2.087  -0.741  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -2.110   2.135  -0.930  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -2.608   2.935  -1.294  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.698   0.951  -0.566  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -4.045   0.557  -0.594  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -5.274   1.323  -1.003  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -6.285   0.184  -1.195  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.874  -0.940  -0.232  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -4.398  -0.727  -0.154  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -3.418  -1.566   0.305  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -3.491  -2.925   0.837  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -4.503  -3.581   0.980  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -2.216  -3.282   1.136  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -1.961  -4.171   1.535  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -1.318  -2.291   0.873  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -0.122  -2.339   1.071  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -2.083  -1.172   0.326  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        0.219   3.064  -0.988  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -1.675   0.099  -0.112  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        1.553   2.748  -0.706  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  27
ATOM     24  C   LIG    1        5.009  -0.228   0.410  0.00  0.00    +0.165 A 
ATOM     25  S   LIG    1        5.770   1.263   0.696  0.00  0.00    -0.060 S 
ATOM     26  C   LIG    1        4.290   2.077   0.409  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1        3.305   1.159   0.102  0.00  0.00    +0.080 A 
ATOM     28  N   LIG    1        3.734  -0.159   0.111  0.00  0.00    -0.225 NA
BRANCH  24  31
ATOM     29  C   LIG    1        8.005  -0.873   1.072  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        6.902  -1.838   0.746  0.00  0.00    +0.216 C 
ATOM     31  N   LIG    1        5.633  -1.443   0.474  0.00  0.00    -0.265 N 
ATOM     32  H   LIG    1        5.004  -2.211   0.276  0.00  0.00    +0.157 HD
ATOM     33  O   LIG    1        7.147  -3.049   0.719  0.00  0.00    -0.276 OA
ENDBRANCH  24  31
ENDBRANCH   1  27
TORSDOF 2