REMARK  Name = BDB023881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.266   4.777   1.331  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.636   4.183   1.121  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.705   2.957   0.470  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.553   2.393  -0.265  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.762   0.943  -0.516  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.888  -0.040  -1.042  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.499  -1.232  -1.129  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.730  -1.029  -0.611  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.936   0.271  -0.261  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.151   0.896   0.316  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.046   2.426   0.142  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.633   4.776   1.534  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.474   0.152  -1.520  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.631   0.086  -0.670  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.878   0.388  -1.279  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.061   0.378  -0.532  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.018   0.069   0.815  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        2.865  -0.239   1.436  0.00  0.00    -0.251 NA
ATOM     19  C   LIG    1        2.959   0.704  -2.646  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        1.827   0.733  -3.450  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.707  -0.248   0.717  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        0.525  -0.669   1.542  0.00  0.00    +0.066 C 
ATOM     23  C   LIG    1        0.590   0.461  -2.889  0.00  0.00    +0.011 A 
BRANCH  17  24
ATOM     24  C   LIG    1        5.199   0.047   1.660  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        6.500   0.321   1.286  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        7.262   0.175   2.411  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.689   0.354   2.523  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        6.554  -0.172   3.498  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        5.301  -0.251   3.040  0.00  0.00    +0.144 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.655  -2.148  -0.493  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -4.194  -2.579  -1.864  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -4.593  -4.049  -1.867  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -5.094  -4.410  -0.584  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -4.069  -4.451   0.411  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -3.041  -3.334   0.255  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3