REMARK  Name = BDB048831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.042  -0.861   0.455  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1        0.701  -1.084  -0.043  0.00  0.00    +0.167 C 
ATOM      3  C   LIG    1       -0.144   0.014   0.387  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        0.695   0.830   1.164  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1        0.190   1.970   1.766  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.158   2.286   1.560  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.990   1.474   0.766  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -1.480   0.316   0.176  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        2.070   0.273   1.197  0.00  0.00    +0.001 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        3.262   0.830   1.847  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        3.956   0.099   2.820  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        5.096   0.633   3.424  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.549   1.900   3.062  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        4.864   2.636   2.098  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.723   2.104   1.493  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   1  18
ATOM     16  N   LIG    1        4.177  -1.104  -0.591  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1        4.112  -0.101  -0.722  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        3.201  -1.724   0.148  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        3.232  -2.892   0.514  0.00  0.00    -0.270 OA
BRANCH  16  21
ATOM     20  C   LIG    1        6.401  -1.598   0.316  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1        5.452  -1.745  -0.872  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1        6.069  -1.151  -2.134  0.00  0.00    +0.027 C 
ENDBRANCH  16  21
ENDBRANCH   1  18
BRANCH   2  23
ATOM     23  N   LIG    1        0.307  -2.077  -0.994  0.00  0.00    -0.181 N 
ATOM     24  O   LIG    1       -0.518  -1.653  -2.085  0.00  0.00    -0.173 OA
ATOM     25  C   LIG    1        0.635  -3.489  -0.835  0.00  0.00    +0.191 C 
ENDBRANCH   2  23
BRANCH   7  26
ATOM     26  O   LIG    1       -3.278   1.926   0.653  0.00  0.00    -0.491 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.149   1.189  -0.212  0.00  0.00    +0.244 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.505   1.918  -0.257  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.561   1.343  -1.097  0.00  0.00    -0.295 NA
ATOM     30  C   LIG    1       -7.109   0.081  -0.572  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -7.933  -0.650  -1.643  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -7.146  -1.053  -2.772  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -6.011  -0.207  -3.005  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -6.221   1.240  -2.528  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 8