REMARK  Name = BDB001026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.542  -0.799   0.069  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.585  -0.323  -0.842  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.717  -0.135  -0.404  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1        1.909   0.359  -1.181  0.00  0.00    +0.073 C 
ATOM      5  C   LIG    1        2.972   0.320  -0.118  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        4.379   0.686  -0.240  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1        5.199   0.568   0.902  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        6.555   0.905   0.843  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        7.101   1.363  -0.356  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        6.296   1.482  -1.490  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.612   0.077   2.189  0.00  0.00    +0.257 A 
ATOM     12  O   LIG    1        5.290  -0.040   3.204  0.00  0.00    -0.267 OA
ATOM     13  N   LIG    1        3.268  -0.237   2.172  0.00  0.00    -0.321 N 
ATOM     14  H   LIG    1        2.871  -0.569   3.041  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1        4.940   1.146  -1.435  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        2.502  -0.113   1.060  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        1.089  -0.410   0.922  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        0.159  -0.879   1.829  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -1.161  -1.073   1.395  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1       -3.972  -1.407   0.276  0.00  0.00    +0.231 C 
ATOM     21  N   LIG    1       -2.853  -0.974  -0.422  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1       -2.996  -0.732  -1.394  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -4.013  -1.712   1.464  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -5.231  -1.463  -0.605  0.00  0.00    +0.180 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -6.696  -0.180   0.859  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1       -6.111  -0.284  -0.478  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1       -5.462   0.966  -0.860  0.00  0.00    +0.105 C 
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH   1  21
TORSDOF 3