REMARK  Name = BDB048442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.057  -0.532   0.746  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.434  -1.142  -1.221  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1        0.463  -1.426  -0.279  0.00  0.00    -0.323 N 
ATOM      4  C   LIG    1        0.107  -2.752  -0.421  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        0.878  -3.200  -1.488  0.00  0.00    +0.089 A 
ATOM      6  C   LIG    1        0.761  -4.530  -1.918  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -0.133  -5.379  -1.255  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.895  -4.911  -0.184  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.792  -3.586   0.257  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        1.680  -2.200  -1.968  0.00  0.00    -0.232 NA
BRANCH   2  11
ATOM     11  C   LIG    1        2.124   0.175  -1.390  0.00  0.00    +0.074 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.577   0.140  -0.903  0.00  0.00    +0.008 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.698   0.040   0.622  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.146  -0.058   1.113  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.957   1.220   0.883  0.00  0.00    -0.000 C 
BRANCH  15  17
ATOM     16  C   LIG    1        7.511   1.007   2.899  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        7.399   1.121   1.386  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   2  11
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.441  -0.023   0.417  0.00  0.00    -0.028 A 
ATOM     19  C   LIG    1       -2.526  -0.334   1.247  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -3.811   0.133   0.948  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -4.043   0.937  -0.178  0.00  0.00    -0.017 A 
ATOM     22  C   LIG    1       -2.953   1.252  -1.001  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -1.669   0.781  -0.707  0.00  0.00    +0.006 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -5.395   1.429  -0.489  0.00  0.00    -0.004 A 
ATOM     25  C   LIG    1       -5.730   2.798  -0.550  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1       -7.024   3.207  -0.914  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -8.007   2.260  -1.195  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.702   0.905  -1.122  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.410   0.495  -0.777  0.00  0.00    +0.009 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -4.765   3.885  -0.261  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1       -4.600   4.834  -1.008  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -4.170   3.771   0.946  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -4.418   2.967   1.439  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 11