REMARK  Name = BDB007637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.095   0.060   1.464  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.532   1.286   1.560  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.295   1.993   0.875  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.376  -0.970   1.936  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        3.793  -0.123  -0.735  0.00  0.00    -0.033 A 
ATOM      6  C   LIG    1        3.384   1.086  -0.153  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        2.187   1.161   0.568  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        1.376   0.028   0.704  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        1.782  -1.182   0.132  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.976  -1.254  -0.589  0.00  0.00    +0.005 A 
BRANCH   5  11
ATOM     11  C   LIG    1        5.078  -0.194  -1.537  0.00  0.00    +0.119 C 
BRANCH  11  16
ATOM     12  C   LIG    1       10.126  -0.946  -1.008  0.00  0.00    +0.105 C 
ATOM     13  N   LIG    1        8.917  -1.621  -0.549  0.00  0.00    -0.303 NA
ATOM     14  C   LIG    1        8.211  -2.308  -1.649  0.00  0.00    +0.099 C 
ATOM     15  C   LIG    1        6.982  -1.540  -2.182  0.00  0.00    +0.100 C 
ATOM     16  N   LIG    1        5.948  -1.312  -1.151  0.00  0.00    -0.296 NA
ATOM     17  C   LIG    1        6.554  -1.141   0.188  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        8.028  -0.680   0.162  0.00  0.00    +0.099 C 
ENDBRANCH  11  16
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  19
ATOM     19  C   LIG    1       -1.875   1.383   2.109  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.937   1.029   1.059  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.920   2.031   0.025  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -3.803   1.954  -0.396  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -4.346   0.986   1.686  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.398   0.866   0.649  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -6.711   1.217   1.235  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -7.878   0.983   0.300  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -7.767   0.097  -0.785  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -8.871  -0.128  -1.619  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1      -10.087   0.504  -1.361  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1      -10.207   1.367  -0.275  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.444  -0.558  -1.087  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -9.110   1.604   0.554  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -5.471  -0.501   0.100  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8