REMARK  Name = BDB025441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.435   1.069   1.544  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1       -3.628   0.122   0.932  0.00  0.00    -0.261 N 
ATOM      3  C   LIG    1       -2.321   0.510   0.375  0.00  0.00    +0.167 C 
ATOM      4  C   LIG    1       -1.547  -0.715   0.048  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -1.981  -2.019   0.143  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.893  -2.791  -0.276  0.00  0.00    +0.142 A 
ATOM      7  N   LIG    1        0.150  -2.044  -0.614  0.00  0.00    -0.149 NA
ATOM      8  C   LIG    1       -3.346  -2.352   0.613  0.00  0.00    +0.059 C 
ATOM      9  N   LIG    1       -0.253  -0.754  -0.433  0.00  0.00    -0.200 N 
ATOM     10  C   LIG    1        0.599   0.329  -0.727  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        0.172   1.470  -0.571  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -4.258  -1.121   0.453  0.00  0.00    +0.116 C 
ATOM     13  O   LIG    1       -5.601   0.872   1.866  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        1.994  -0.035  -1.216  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1        3.066   0.239  -0.168  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.271   0.867  -0.533  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        5.218   1.153   0.461  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        5.024   0.740   1.779  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.869   0.048   2.124  0.00  0.00    +0.000 A 
ATOM     20  N   LIG    1        4.502   1.332  -1.837  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1        5.495   1.382  -2.054  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1        3.712   0.698  -2.880  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1        2.896  -0.204   1.157  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        2.243   0.761  -2.508  0.00  0.00    +0.036 C 
ENDBRANCH  10  14
BRANCH   6  25
ATOM     25  N   LIG    1       -0.888  -4.126  -0.326  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1       -1.526  -4.661   0.250  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        0.021  -4.567  -0.427  0.00  0.00    +0.144 HD
ENDBRANCH   6  25
BRANCH   1  29
ATOM     28  C   LIG    1       -4.583   3.254   2.379  0.00  0.00    +0.282 C 
ATOM     29  O   LIG    1       -3.789   2.249   1.747  0.00  0.00    -0.454 OA
ENDBRANCH   1  29
TORSDOF 3