REMARK  Name = BDB001129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.675   0.038   0.569  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.767  -0.107   1.632  0.00  0.00    +0.127 C 
BRANCH   2  10
ATOM      3  O   LIG    1       -7.302  -2.466  -0.416  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -6.305  -1.900   0.019  0.00  0.00    +0.262 A 
ATOM      5  C   LIG    1       -6.129  -0.444  -0.086  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1       -4.973   0.143   0.442  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -4.830   1.532   0.313  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -5.814   2.303  -0.318  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -6.959   1.701  -0.832  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1       -3.997  -0.679   1.083  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1       -4.145  -2.059   1.153  0.00  0.00    +0.330 A 
ATOM     12  O   LIG    1       -3.317  -2.817   1.658  0.00  0.00    -0.246 OA
ATOM     13  C   LIG    1       -7.119   0.324  -0.717  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -5.291  -2.583   0.627  0.00  0.00    -0.274 N 
ATOM     15  H   LIG    1       -5.390  -3.584   0.692  0.00  0.00    +0.173 HD
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -0.384   0.593   1.177  0.00  0.00    +0.017 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.712   0.859   0.133  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.043  -0.309  -0.696  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        1.815   0.074  -1.893  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        3.232   0.602  -1.594  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        3.930  -0.200  -0.522  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        3.248  -1.108   0.202  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        1.774  -1.357   0.037  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.372   0.015  -0.304  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        6.280  -0.045  -1.369  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        7.645   0.170  -1.156  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        8.116   0.449   0.124  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.225   0.513   1.193  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.862   0.298   0.980  0.00  0.00    +0.008 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6