REMARK  Name = BDB019548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.259  -0.391   0.843  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        1.920   0.670   0.215  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        2.961   0.401  -0.678  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        3.325  -0.916  -0.968  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        2.685  -1.988  -0.331  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        1.652  -1.712   0.579  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -0.568   0.997   1.675  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1       -0.477   1.530   0.822  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        0.152  -0.170   1.815  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1       -0.092  -1.022   2.662  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -1.748   1.256   2.470  0.00  0.00    +0.140 C 
BRANCH  11  16
ATOM     12  C   LIG    1       -4.870   1.591   0.305  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1       -5.279   0.260   0.220  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1       -4.554  -0.752   0.859  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1       -3.416  -0.423   1.597  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1       -2.995   0.911   1.699  0.00  0.00    -0.023 A 
ATOM     17  C   LIG    1       -3.727   1.909   1.042  0.00  0.00    +0.051 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -6.660   2.390  -1.038  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -5.487   2.663  -0.281  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
BRANCH  14  20
ATOM     20  O   LIG    1       -5.060  -2.012   0.685  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -4.315  -3.086   1.248  0.00  0.00    +0.277 C 
ENDBRANCH  14  20
ENDBRANCH  11  16
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  O   LIG    1        3.632   1.389  -1.365  0.00  0.00    -0.456 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.002   2.512  -0.660  0.00  0.00    +0.128 A 
ATOM     24  C   LIG    1        4.705   2.443   0.545  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        5.078   3.620   1.196  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.763   4.858   0.635  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.082   4.923  -0.582  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.708   3.749  -1.235  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   5  29
ATOM     29  C   LIG    1        3.078  -3.410  -0.636  0.00  0.00    +0.158 C 
BRANCH  29  30
ATOM     30  N   LIG    1        2.351  -3.926  -1.781  0.00  0.00    -0.332 N 
ATOM     31  C   LIG    1        1.139  -4.554  -1.742  0.00  0.00    +0.199 A 
ATOM     32  N   LIG    1        0.764  -4.947  -2.939  0.00  0.00    -0.244 NA
ATOM     33  C   LIG    1        1.773  -4.558  -3.781  0.00  0.00    +0.130 A 
ATOM     34  C   LIG    1        2.776  -3.927  -3.082  0.00  0.00    +0.107 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 9