REMARK  Name = BDB028101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.621  -1.720  -0.124  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.610  -1.542  -1.079  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        0.536  -0.876  -0.684  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        1.732  -0.556  -1.469  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        2.571   0.178  -0.643  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        2.061   0.260   0.721  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        1.918  -0.884  -2.625  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.720  -0.384   0.607  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -0.268  -0.544   1.559  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.442  -1.210   1.185  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        3.956   0.459  -1.002  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        4.931  -0.581  -0.422  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        4.591  -1.646   0.088  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.263  -0.242  -0.499  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.896  -0.923  -0.100  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        6.763   1.034  -0.567  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.927   1.275  -0.260  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        5.818   2.105  -1.056  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        4.400   1.852  -0.568  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -2.908  -2.414  -0.495  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1       -5.590   0.018  -0.614  0.00  0.00    -0.300 N 
ATOM     22  H   LIG    1       -5.761  -0.147  -1.595  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1       -4.803  -0.938  -0.019  0.00  0.00    +0.300 C 
ATOM     24  N   LIG    1       -3.911  -1.463  -0.919  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1       -3.643  -0.836  -1.662  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1       -4.889  -1.276   1.152  0.00  0.00    -0.253 OA
BRANCH  21  28
ATOM     27  C   LIG    1       -6.142   1.725   1.074  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -6.659   0.655   0.128  0.00  0.00    +0.102 C 
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4