REMARK  Name = BDB012486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.324   0.574  -0.696  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1        2.904  -0.560   0.157  0.00  0.00    -0.221 N 
ATOM      3  N   LIG    1        1.854  -1.289  -0.383  0.00  0.00    -0.168 NA
ATOM      4  C   LIG    1        1.237  -2.143   0.369  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        1.658  -2.510   1.730  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.629  -1.763   2.257  0.00  0.00    +0.074 A 
ATOM      7  C   LIG    1       -0.048  -2.700  -0.121  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.921  -1.776  -0.710  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.221  -2.131  -1.093  0.00  0.00    -0.027 A 
ATOM     10  C   LIG    1       -2.603  -3.470  -0.950  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -1.718  -4.408  -0.395  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.174  -1.083  -1.635  0.00  0.00    +0.160 C 
ATOM     13  N   LIG    1       -3.154   0.129  -0.820  0.00  0.00    -0.307 N 
ATOM     14  C   LIG    1       -2.400   1.263  -1.056  0.00  0.00    +0.204 A 
ATOM     15  N   LIG    1       -2.335   2.009   0.022  0.00  0.00    -0.214 NA
ATOM     16  C   LIG    1       -3.144   1.407   0.950  0.00  0.00    +0.091 A 
ATOM     17  C   LIG    1       -3.453   1.810   2.257  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -4.309   1.011   3.024  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.842  -0.169   2.502  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.540  -0.589   1.201  0.00  0.00    +0.028 A 
ATOM     21  N   LIG    1       -1.823   1.541  -2.276  0.00  0.00    -0.252 N 
ATOM     22  H   LIG    1       -2.370   1.336  -3.099  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1       -0.916   2.567  -2.431  0.00  0.00    +0.250 C 
ATOM     24  O   LIG    1       -0.901   3.261  -3.444  0.00  0.00    -0.270 OA
ATOM     25  C   LIG    1        0.204   2.660  -1.466  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        1.186   1.662  -1.497  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        0.324   3.738  -0.595  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        1.407   3.781   0.287  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        2.380   2.770   0.277  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -3.691   0.231   0.448  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1       -0.443  -4.024   0.035  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        3.241  -0.642   1.504  0.00  0.00    +0.268 A 
ATOM     33  O   LIG    1        4.009   0.102   2.107  0.00  0.00    -0.266 OA
ATOM     34  C   LIG    1        2.297   1.707  -0.633  0.00  0.00    -0.022 A 
ENDROOT
BRANCH   1  36
ATOM     35  C   LIG    1        5.791  -0.074  -0.837  0.00  0.00    +0.006 C 
ATOM     36  C   LIG    1        4.790   1.039  -0.551  0.00  0.00    +0.028 C 
ENDBRANCH   1  36
TORSDOF 1