REMARK  Name = BDB007722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.866   0.882  -1.442  0.00  0.00    +0.279 C 
ATOM      2  N   LIG    1        0.970   0.049  -0.810  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        1.357  -0.666  -0.201  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.536   1.627  -2.361  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        7.523   0.535   0.630  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        6.792   1.246  -0.333  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        5.415   0.982  -0.472  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        4.831   0.028   0.350  0.00  0.00    +0.136 A 
ATOM      9  O   LIG    1        3.504  -0.091   0.075  0.00  0.00    -0.450 OA
ATOM     10  C   LIG    1        3.219   0.792  -0.935  0.00  0.00    +0.190 A 
ATOM     11  C   LIG    1        5.522  -0.696   1.316  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        4.368   1.469  -1.298  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1        6.888  -0.419   1.436  0.00  0.00    +0.049 A 
BRANCH   5  15
ATOM     14  C   LIG    1        9.563   1.640   0.098  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        8.862   0.681   0.880  0.00  0.00    -0.495 OA
ENDBRANCH   5  15
ENDBRANCH   1  10
BRANCH   2  16
ATOM     16  C   LIG    1       -0.367  -0.174  -1.323  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.269  -0.802  -0.256  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.706  -2.060   0.156  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -1.467  -2.560   0.517  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.693  -1.042  -0.800  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.504  -1.838   0.152  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.976  -1.042   1.306  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.113  -0.089   1.006  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.966  -0.306  -0.092  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -7.034   0.571  -0.327  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.268   1.642   0.534  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.437   1.849   1.632  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.697  -1.437  -1.052  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.367   0.986   1.870  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.676  -2.448  -0.507  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7