REMARK  Name = BDB059905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.997  -0.373  -1.524  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1        1.365   0.370  -0.535  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1        0.011   0.185  -0.746  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.991   0.699   0.105  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.642   1.438   1.124  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.700   1.698   1.304  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.121  -0.550  -1.893  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1        1.718   1.218   0.555  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1        1.043  -0.907  -2.383  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.074   1.704   0.879  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        3.752   2.540  -0.019  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        5.034   3.005   0.279  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.647   2.641   1.477  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        4.981   1.812   2.378  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.699   1.344   2.082  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  C   LIG    1        3.428  -0.609  -1.725  0.00  0.00    +0.360 C 
ATOM     17  O   LIG    1        3.947  -0.717  -2.831  0.00  0.00    -0.243 OA
BRANCH  16  18
ATOM     18  O   LIG    1        4.105  -0.747  -0.547  0.00  0.00    -0.460 OA
BRANCH  18  20
ATOM     19  C   LIG    1        5.803  -2.451  -0.807  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        5.516  -0.969  -0.657  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   4  21
ATOM     21  N   LIG    1       -2.310   0.402  -0.157  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.522  -0.415  -0.718  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.361   0.762   0.774  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.679   0.260   0.246  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1       -5.182  -0.994   0.578  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.609  -2.063   1.431  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.835  -2.970   1.551  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.716  -2.719   0.434  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.369  -1.457   0.025  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.103  -0.711  -0.873  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -6.621   0.551  -1.219  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.420   1.031  -0.668  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 7