REMARK  Name = BDB039674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.046   2.327   1.528  0.00  0.00    -0.290 NA
ATOM      2  C   LIG    1       -0.284   2.413   0.103  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1       -1.754   1.971  -0.217  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1       -1.160   1.371  -1.527  0.00  0.00    +0.025 C 
ATOM      5  N   LIG    1       -2.334   0.917   0.614  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1       -1.993   1.024   2.047  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1        0.192   1.240  -0.781  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -0.469   1.143   2.215  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.586   0.312   0.336  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.032  -0.852   0.975  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1       -5.210  -1.484   0.741  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1       -6.007  -0.946  -0.209  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -5.663   0.187  -0.932  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -4.441   0.808  -0.657  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -7.307  -1.647  -0.466  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -7.676  -1.755  -1.800  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -6.960  -1.619  -2.501  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -8.831  -2.536  -2.166  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1       -7.981  -2.099   0.453  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  C   LIG    1        1.439   2.664   1.846  0.00  0.00    +0.142 C 
BRANCH  20  30
ATOM     21  C   LIG    1        6.195  -1.218  -0.274  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        6.064  -0.076  -1.240  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        6.772   0.016  -2.238  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        5.110   0.871  -0.962  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1        5.040   1.632  -1.624  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.267   0.805   0.155  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1        4.381  -0.257   1.039  0.00  0.00    +0.110 A 
ATOM     28  N   LIG    1        3.596  -0.368   2.126  0.00  0.00    -0.147 NA
ATOM     29  N   LIG    1        2.652   0.595   2.365  0.00  0.00    -0.152 NA
ATOM     30  C   LIG    1        2.505   1.643   1.515  0.00  0.00    +0.080 A 
ATOM     31  C   LIG    1        3.314   1.782   0.394  0.00  0.00    +0.054 A 
ATOM     32  C   LIG    1        5.379  -1.290   0.793  0.00  0.00    +0.040 A 
BRANCH  21  34
ATOM     33  C   LIG    1        8.637  -1.809  -0.215  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        7.231  -2.264  -0.582  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5