REMARK  Name = BDB022108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.360   1.154  -0.071  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.595   0.239  -0.478  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        1.805   0.632   0.085  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1        1.672   1.830   0.735  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        0.381   2.136   0.612  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.067  -0.068   0.057  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        4.131   0.530   0.636  0.00  0.00    -0.210 NA
ATOM      8  C   LIG    1        5.307  -0.127   0.617  0.00  0.00    +0.080 A 
ATOM      9  C   LIG    1        6.466   0.529   1.250  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        7.766   0.017   1.025  0.00  0.00    -0.038 A 
ATOM     11  C   LIG    1        7.949  -1.146   0.076  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1        6.754  -2.107   0.092  0.00  0.00    +0.043 C 
ATOM     13  C   LIG    1        8.882   0.632   1.609  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        8.718   1.743   2.434  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.445   2.255   2.668  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.330   1.655   2.078  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        5.447  -1.377   0.034  0.00  0.00    -0.003 A 
ATOM     18  C   LIG    1        4.306  -1.918  -0.509  0.00  0.00    +0.120 A 
ATOM     19  N   LIG    1        3.116  -1.292  -0.516  0.00  0.00    -0.219 NA
ENDBRANCH   3   6
BRANCH   1  21
ATOM     20  N   LIG    1       -2.576   0.105   0.029  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1       -1.780   1.197  -0.356  0.00  0.00    +0.250 C 
ATOM     22  O   LIG    1       -2.258   2.186  -0.910  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -2.185  -0.846   1.079  0.00  0.00    +0.105 C 
ATOM     24  C   LIG    1       -2.424  -2.300   0.701  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
BRANCH  20  25
ATOM     25  C   LIG    1       -4.002   0.189  -0.319  0.00  0.00    +0.123 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.822   1.043   0.669  0.00  0.00    +0.103 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -6.287   1.041   0.521  0.00  0.00    -0.301 NA
BRANCH  27  29
ATOM     28  C   LIG    1       -8.393  -0.149   1.094  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -6.901  -0.258   0.796  0.00  0.00    +0.081 C 
ENDBRANCH  27  29
BRANCH  27  30
ATOM     30  C   LIG    1       -6.774   1.757  -0.662  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1       -6.945   0.957  -1.952  0.00  0.00    +0.020 C 
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH   1  21
BRANCH   2  32
ATOM     32  C   LIG    1        0.352  -0.991  -1.402  0.00  0.00    +0.039 C 
ATOM     33  C   LIG    1        0.946  -0.973  -2.789  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -0.537  -0.870  -2.614  0.00  0.00    +0.010 C 
ENDBRANCH   2  32
TORSDOF 9