REMARK  Name = BDB000275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.457  -0.395   0.420  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -0.211  -0.388  -0.239  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.726  -1.423  -0.088  0.00  0.00    +0.073 A 
ATOM      4  N   LIG    1        1.976  -1.401  -0.706  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        2.876  -2.495  -0.327  0.00  0.00    +0.146 C 
ATOM      6  C   LIG    1        2.083  -3.783  -0.136  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        1.115  -3.636   0.908  0.00  0.00    -0.489 OA
ATOM      8  C   LIG    1        0.332  -2.518   0.715  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -0.890  -2.535   1.391  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -1.780  -1.476   1.247  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.356   0.778  -0.746  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1       -2.389   0.728   0.257  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -2.361   1.843   1.100  0.00  0.00    +0.129 A 
ATOM     14  N   LIG    1       -3.204   2.878   0.974  0.00  0.00    -0.199 NA
ATOM     15  C   LIG    1       -4.107   2.814   0.000  0.00  0.00    +0.214 A 
ATOM     16  N   LIG    1       -4.210   1.819  -0.880  0.00  0.00    -0.219 NA
BRANCH  13  17
ATOM     17  N   LIG    1       -1.425   1.940   2.148  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -0.484   1.870   1.771  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -1.547   1.152   2.778  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1       -4.970   3.881  -0.142  0.00  0.00    -0.327 N 
ATOM     21  H   LIG    1       -4.553   4.700   0.279  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -5.271   3.949  -1.103  0.00  0.00    +0.145 HD
ENDBRANCH  15  20
BRANCH  11  24
ATOM     23  C   LIG    1       -4.625  -1.314  -1.307  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -3.550  -0.332  -1.751  0.00  0.00    +0.053 C 
ENDBRANCH  11  24
ENDBRANCH   1  12
BRANCH   4  25
ATOM     25  C   LIG    1        2.535  -0.239  -1.396  0.00  0.00    +0.107 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.888   0.934  -0.480  0.00  0.00    +0.047 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.998   0.623   0.517  0.00  0.00    +0.161 C 
BRANCH  27  28
ATOM     28  O   LIG    1        4.370   1.796   1.245  0.00  0.00    -0.383 OA
ATOM     29  C   LIG    1        5.353   2.579   0.583  0.00  0.00    +0.193 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 8