REMARK  Name = BDB009280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.491  -1.151   1.866  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.406  -1.101   0.795  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.388  -2.088   0.647  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.490  -3.090   1.623  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.620  -3.115   2.716  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.373  -2.144   2.840  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -2.534   0.002   1.042  0.00  0.00    -0.293 N 
ATOM      8  C   LIG    1       -1.542  -0.123   2.021  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1       -1.504   0.572   3.034  0.00  0.00    -0.270 OA
BRANCH   7  10
ATOM     10  C   LIG    1       -3.584   0.993   1.273  0.00  0.00    +0.108 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.694   0.458   2.183  0.00  0.00    +0.019 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.883   0.984   3.312  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.778   1.510   2.410  0.00  0.00    -0.002 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   7  10
BRANCH   7  14
ATOM     14  C   LIG    1       -2.762  -0.977  -0.028  0.00  0.00    +0.143 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.043  -0.674  -1.327  0.00  0.00    -0.030 A 
ATOM     16  C   LIG    1       -1.636  -1.739  -2.147  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -0.985  -1.502  -3.359  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -0.741  -0.196  -3.776  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -1.152   0.873  -2.983  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.803   0.636  -1.770  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        2.334  -2.067  -0.532  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.595  -1.252  -0.266  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        3.783   0.072  -0.942  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        2.739   0.627  -1.871  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1        2.955   2.101  -2.228  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        4.422   2.388  -2.520  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        5.298   2.039  -1.316  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        4.931   0.724  -0.685  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        5.925   0.143   0.253  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1        6.970   0.723   0.528  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        5.605  -1.077   0.782  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1        6.268  -1.490   1.429  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        4.470  -1.782   0.538  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 8