REMARK  Name = BDB018990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.418  -0.165   0.390  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.080   0.256   0.302  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        2.366  -0.084  -0.832  0.00  0.00    +0.076 A 
ATOM      4  N   LIG    1        1.029   0.167  -1.202  0.00  0.00    -0.260 N 
ATOM      5  C   LIG    1        0.782  -0.443  -2.466  0.00  0.00    +0.334 A 
ATOM      6  N   LIG    1        1.984  -1.097  -2.824  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        2.196  -1.835  -4.035  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -0.234  -0.400  -3.142  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        2.946  -0.868  -1.835  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        4.252  -1.310  -1.766  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        4.994  -0.950  -0.635  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        0.144   1.024  -0.509  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1       -1.216   0.668  -0.254  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -2.060   1.597   0.397  0.00  0.00    -0.012 A 
ATOM     15  C   LIG    1       -3.395   1.263   0.672  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -3.875   0.006   0.327  0.00  0.00    +0.075 A 
ATOM     17  N   LIG    1       -3.095  -0.920  -0.265  0.00  0.00    -0.254 NA
ATOM     18  C   LIG    1       -1.558   2.848   0.782  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -0.231   3.189   0.541  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -1.811  -0.573  -0.539  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        0.611   2.284  -0.098  0.00  0.00    +0.027 A 
BRANCH  16  22
ATOM     22  C   LIG    1       -5.241  -0.413   0.585  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -6.242   0.324   1.188  0.00  0.00    +0.118 A 
ATOM     24  N   LIG    1       -7.348  -0.478   1.214  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1       -8.647  -0.149   1.747  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1       -7.145  -1.691   0.673  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1       -5.865  -1.649   0.289  0.00  0.00    +0.144 A 
ENDBRANCH  16  22
ENDBRANCH   4  12
BRANCH   1  31
ATOM     28  C   LIG    1        7.371   0.781   2.560  0.00  0.00    +0.128 C 
ATOM     29  N   LIG    1        6.556   0.311   1.466  0.00  0.00    -0.314 N 
ATOM     30  H   LIG    1        6.949   0.365   0.537  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        5.187   0.213   1.609  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        4.597   0.453   2.656  0.00  0.00    -0.270 OA
ENDBRANCH   1  31
TORSDOF 3