REMARK  Name = BDB048243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.230   1.487  -0.658  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.328   0.540  -0.134  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.068   0.753  -0.208  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.514   1.924  -0.821  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -1.887   1.915  -0.779  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -2.475   2.644  -1.156  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.352   0.780  -0.165  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -3.665   0.356   0.090  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.978   1.031  -0.200  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.954  -0.146  -0.062  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.337  -1.116   0.957  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -3.880  -0.861   0.751  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -2.801  -1.607   1.142  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -2.724  -2.880   1.854  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -3.667  -3.534   2.251  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -1.401  -3.165   1.976  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -1.042  -3.986   2.436  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -0.606  -2.203   1.430  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1        0.608  -2.204   1.415  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -1.499  -1.185   0.881  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        0.352   2.881  -1.359  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -1.228   0.023   0.216  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        1.727   2.641  -1.268  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  27
ATOM     24  C   LIG    1        5.469  -0.052  -0.344  0.00  0.00    +0.093 A 
ATOM     25  S   LIG    1        6.197   1.506  -0.446  0.00  0.00    -0.079 S 
ATOM     26  C   LIG    1        4.639   2.212  -0.572  0.00  0.00    +0.075 A 
ATOM     27  C   LIG    1        3.666   1.231  -0.562  0.00  0.00    +0.078 A 
ATOM     28  N   LIG    1        4.155  -0.060  -0.437  0.00  0.00    -0.243 NA
BRANCH  24  29
ATOM     29  C   LIG    1        6.321  -1.285  -0.210  0.00  0.00    +0.141 C 
BRANCH  29  30
ATOM     30  N   LIG    1        7.107  -1.313   1.028  0.00  0.00    -0.324 NA
ATOM     31  H   LIG    1        7.745  -0.519   1.033  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1        7.682  -2.152   1.034  0.00  0.00    +0.119 HD
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH   1  27
TORSDOF 3