REMARK  Name = BDB025602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.593   0.125   0.978  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -1.139   0.376   0.916  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.521   0.110  -0.323  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -0.667   0.877  -1.277  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -0.998   1.782   1.300  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -2.311   2.487   0.912  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -3.216   1.381   0.372  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.449  -0.844   1.400  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -4.451  -1.530   0.616  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -4.716  -2.400   0.166  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -3.144  -1.197   0.405  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -2.451  -1.984  -0.241  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -2.918   3.051   2.074  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -3.630   3.641   1.770  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1        0.376  -1.144  -0.386  0.00  0.00    +0.197 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.613  -0.840  -1.105  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        2.132  -1.743  -1.964  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        3.264  -1.240  -2.442  0.00  0.00    -0.125 NA
ATOM     19  C   LIG    1        3.453  -0.012  -1.874  0.00  0.00    +0.167 A 
ATOM     20  C   LIG    1        2.418   0.260  -1.011  0.00  0.00    +0.144 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.661   0.932  -2.157  0.00  0.00    +0.249 A 
ATOM     22  O   LIG    1        4.804   2.163  -1.552  0.00  0.00    -0.442 OA
ATOM     23  C   LIG    1        5.965   2.660  -2.058  0.00  0.00    +0.217 A 
ATOM     24  C   LIG    1        6.476   1.736  -2.930  0.00  0.00    +0.153 A 
ATOM     25  N   LIG    1        5.650   0.645  -2.988  0.00  0.00    -0.216 NA
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  26
ATOM     26  C   LIG    1        0.624  -1.873   0.967  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1        1.597  -1.148   1.902  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        1.102  -3.315   0.753  0.00  0.00    +0.010 C 
ENDBRANCH  15  26
ENDBRANCH   3  15
TORSDOF 6