REMARK  Name = BDB018940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.124  -0.307  -1.874  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1        1.367  -0.209  -1.183  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        2.515   0.237  -1.872  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.740   0.329  -1.194  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        3.807  -0.017   0.151  0.00  0.00    +0.075 A 
ATOM      6  N   LIG    1        2.727  -0.442   0.842  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1        2.418   0.585  -3.229  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.202   0.497  -3.903  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.552  -0.521   0.172  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        0.066   0.055  -3.231  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -4.413   0.360   0.388  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -3.263  -0.309  -0.156  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.434  -1.683   0.034  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -2.480  -2.622  -0.388  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -1.323  -2.148  -1.015  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -1.105  -0.781  -1.218  0.00  0.00    -0.017 A 
ATOM     17  N   LIG    1       -4.646  -1.851   0.664  0.00  0.00    -0.349 N 
ATOM     18  C   LIG    1       -5.214  -3.127   1.038  0.00  0.00    +0.149 C 
ATOM     19  C   LIG    1       -2.081   0.137  -0.791  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -5.243  -0.637   0.880  0.00  0.00    +0.099 A 
BRANCH  11  24
ATOM     21  C   LIG    1       -5.952   3.612   1.436  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1       -5.688   2.212   1.228  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1       -6.038   1.553   1.907  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -4.664   1.803   0.398  0.00  0.00    +0.246 C 
ATOM     25  O   LIG    1       -4.000   2.595  -0.265  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1        5.039   0.050   0.918  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.282   0.453   0.469  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        7.128   0.351   1.537  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.536   0.664   1.563  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.530  -0.092   2.656  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.261  -0.273   2.278  0.00  0.00    +0.144 A 
ENDBRANCH   5  26
TORSDOF 3