REMARK  Name = BDB048149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.724   2.952  -2.781  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        1.718   1.888  -2.456  0.00  0.00    +0.040 A 
ATOM      3  N   LIG    1        2.145   0.843  -1.703  0.00  0.00    -0.237 NA
ATOM      4  C   LIG    1        1.279  -0.152  -1.397  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -0.055  -0.076  -1.812  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1       -0.488   0.993  -2.599  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        0.415   1.995  -2.926  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.029  -1.126  -1.480  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1       -1.622  -1.117  -0.216  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -1.325  -0.098   0.802  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -2.276  -0.058   2.000  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -3.731   0.283   1.668  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -4.259  -0.197   0.318  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -4.033  -1.676   0.002  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -2.587  -2.162   0.103  0.00  0.00    +0.108 C 
ATOM     16  O   LIG    1       -1.290  -1.944  -2.360  0.00  0.00    -0.270 OA
ENDBRANCH   5   8
BRANCH   4  17
ATOM     17  N   LIG    1        1.720  -1.232  -0.617  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1        1.436  -2.102  -1.061  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.134  -1.253  -0.247  0.00  0.00    +0.177 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.465  -0.540   1.022  0.00  0.00    +0.122 A 
ATOM     21  O   LIG    1        3.947  -1.303   2.050  0.00  0.00    -0.466 OA
ATOM     22  C   LIG    1        4.179  -0.465   3.092  0.00  0.00    +0.195 A 
ATOM     23  C   LIG    1        3.858   0.828   2.753  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        3.398   0.782   1.417  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 4