REMARK  Name = BDB014990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.246   0.933   1.831  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.725   0.549   1.655  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1        1.943  -0.822   2.019  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1        2.758  -1.080   1.538  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        2.243   0.771   0.217  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1        3.640   0.296   0.056  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        4.598   1.187   0.747  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        6.051   0.876   0.451  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        6.416   0.134  -0.684  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1        7.769  -0.116  -0.949  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        8.757   0.391  -0.106  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        8.401   1.144   1.010  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.350  -0.444  -1.577  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        7.055   1.389   1.287  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.987   0.232  -1.376  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.566   0.573   0.709  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.300  -0.576   0.763  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -2.266  -0.692  -0.243  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -3.099  -1.819  -0.327  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -2.946  -2.841   0.618  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -1.976  -2.737   1.614  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -1.154  -1.609   1.685  0.00  0.00    +0.045 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.151  -1.918  -1.405  0.00  0.00    +0.116 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.512  -1.685  -0.920  0.00  0.00    -0.309 NA
ATOM     25  H   LIG    1       -5.676  -2.281  -0.110  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -5.790  -0.299  -0.559  0.00  0.00    +0.054 C 
ATOM     27  C   LIG    1       -7.221  -0.145  -0.042  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -7.470   1.358  -0.101  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -6.561   1.889  -1.211  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -5.778   0.685  -1.729  0.00  0.00    +0.019 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9