REMARK  Name = BDB029272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.239   1.802  -0.095  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.172   2.111  -1.597  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.018   1.012  -2.216  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.017   0.706  -1.103  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -1.285   0.829   0.129  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        3.657  -1.027   0.708  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.803   0.064   0.937  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        2.765   1.158   1.843  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        1.645   1.905   1.550  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1        0.995   1.304   0.495  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1        1.692   0.183   0.110  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1        1.359  -0.644  -0.896  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        2.239  -1.650  -1.029  0.00  0.00    +0.223 A 
ATOM     14  N   LIG    1        3.346  -1.886  -0.302  0.00  0.00    -0.240 NA
BRANCH   6  15
ATOM     15  C   LIG    1        4.909  -1.313   1.492  0.00  0.00    +0.056 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.190  -0.951   0.734  0.00  0.00    +0.006 C 
BRANCH  16  18
ATOM     17  C   LIG    1        7.698   0.876  -0.126  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        6.370   0.557   0.542  0.00  0.00    -0.003 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  O   LIG    1       -0.781   3.387  -1.876  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1       -1.164   3.285  -2.774  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -1.643   1.458  -3.421  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -2.264   0.738  -3.666  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.631  -0.696  -1.262  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.770  -0.946  -0.291  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -5.044  -0.391  -0.512  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -6.028  -0.656   0.412  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1       -7.465  -0.406   0.764  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1       -7.204  -1.288   2.029  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1       -5.798  -1.427   1.523  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1       -4.569  -1.980   1.786  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.545  -1.732   0.866  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -3.105  -0.871  -2.607  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -3.717  -1.631  -2.581  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 9