REMARK  Name = BDB023975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.298  -0.473  -1.140  0.00  0.00    +0.101 A 
ATOM      2  C   LIG    1       -1.272   0.112   0.163  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -0.358   1.108   0.795  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -0.862   1.562   2.115  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.302   1.438   2.406  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -2.840   0.018   2.147  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -0.098   2.373   2.945  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -0.558   2.931   3.942  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1        1.363   2.535   2.596  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.387  -0.395   0.799  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -2.955  -1.291  -0.047  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -2.343  -1.321  -1.245  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        2.985   0.743  -1.585  0.00  0.00    +0.090 A 
ATOM     14  N   LIG    1        1.758   0.351  -1.099  0.00  0.00    -0.227 NA
ATOM     15  C   LIG    1        0.971   0.190  -2.148  0.00  0.00    +0.148 A 
ATOM     16  N   LIG    1        1.679   0.446  -3.322  0.00  0.00    -0.305 N 
ATOM     17  C   LIG    1        1.143   0.334  -4.598  0.00  0.00    +0.093 A 
ATOM     18  C   LIG    1       -0.138  -0.036  -4.731  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1       -0.914  -0.295  -3.531  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -0.418  -0.193  -2.266  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1        2.955   0.801  -2.961  0.00  0.00    +0.121 A 
BRANCH  13  24
ATOM     22  C   LIG    1        5.122   0.981   1.501  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        4.081   0.663   0.624  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        4.112   1.057  -0.722  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.222   1.776  -1.182  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        6.261   2.106  -0.310  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.212   1.709   1.029  0.00  0.00    +0.045 A 
BRANCH  22  29
ATOM     28  C   LIG    1        6.027   0.721   3.683  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        4.943   0.540   2.783  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  13  24
ENDBRANCH   1  20
BRANCH  11  30
ATOM     30  C   LIG    1       -4.110  -2.150   0.197  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -5.352  -1.622  -0.535  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -6.369  -2.739  -0.702  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -5.875  -3.856  -1.442  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -4.452  -3.997  -1.470  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -3.823  -3.624  -0.139  0.00  0.00    +0.055 C 
ENDBRANCH  11  30
TORSDOF 4