REMARK  Name = BDB020584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.279  -0.847  -0.532  0.00  0.00    +0.067 A 
ATOM      2  N   LIG    1       -2.940  -2.081  -0.273  0.00  0.00    -0.316 N 
ATOM      3  C   LIG    1       -2.281  -3.219   0.195  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -3.184  -4.254   0.313  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -4.441  -3.758  -0.082  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.891  -3.126   0.462  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -0.252  -1.963   0.244  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -4.268  -2.437  -0.430  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1       -0.934  -0.780  -0.307  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1       -0.059   0.403  -0.637  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.189  -1.967   0.627  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1        1.463  -1.151   1.694  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        0.723  -0.589   2.100  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        2.015  -2.651   0.036  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.810  -0.894   2.150  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.318   0.357   1.494  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        2.752   1.628   2.056  0.00  0.00    +0.254 A 
ATOM     18  O   LIG    1        1.904   1.627   2.944  0.00  0.00    -0.268 OA
ATOM     19  N   LIG    1        3.215   2.801   1.517  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        2.822   3.645   1.914  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        4.133   2.879   0.500  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        4.515   4.247   0.028  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1        4.633   1.746  -0.013  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        4.225   0.443   0.494  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        4.883  -0.723  -0.192  0.00  0.00    +0.044 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   7  11
BRANCH   1  26
ATOM     26  C   LIG    1       -3.084   0.342  -1.053  0.00  0.00    +0.216 C 
ATOM     27  C   LIG    1       -3.454   0.172  -2.529  0.00  0.00    +0.059 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -4.261   0.520  -0.246  0.00  0.00    -0.491 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -5.579   2.175   0.785  0.00  0.00    +0.049 C 
ATOM     30  C   LIG    1       -4.723   1.803  -0.167  0.00  0.00    +0.180 C 
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 6