REMARK  Name = BDB023940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.216   0.714  -0.779  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1       -2.298   1.266  -0.051  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -2.473   2.623   0.538  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -3.840   2.778   1.068  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -4.454   1.595   1.707  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -4.513   0.369   0.769  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -4.262   4.082   1.294  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -3.583   5.061   0.984  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -5.615   4.273   1.930  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -3.216   0.241   0.060  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -2.696  -0.824  -0.616  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -1.466  -0.563  -1.105  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  21
ATOM     13  C   LIG    1        3.793   0.040   0.289  0.00  0.00    +0.122 A 
ATOM     14  N   LIG    1        2.678  -0.611   0.672  0.00  0.00    -0.240 NA
ATOM     15  C   LIG    1        1.482  -0.186   0.191  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1        1.293   0.903  -0.669  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        2.465   1.585  -1.046  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        2.377   2.699  -1.898  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        1.145   3.139  -2.379  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -0.020   2.473  -2.011  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        0.037   1.361  -1.157  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        3.706   1.144  -0.558  0.00  0.00    +0.052 A 
BRANCH  13  25
ATOM     23  C   LIG    1        7.045  -1.561   0.389  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        6.225  -0.322  -0.026  0.00  0.00    +0.138 C 
ATOM     25  N   LIG    1        5.009  -0.384   0.787  0.00  0.00    -0.313 N 
ATOM     26  C   LIG    1        5.030  -1.563   1.649  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1        6.516  -1.861   1.787  0.00  0.00    +0.052 C 
BRANCH  23  29
ATOM     28  C   LIG    1        9.044  -1.232  -0.838  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1        8.450  -1.336   0.449  0.00  0.00    -0.378 OA
ENDBRANCH  23  29
ENDBRANCH  13  25
ENDBRANCH   1  21
BRANCH  11  30
ATOM     30  C   LIG    1       -3.253  -2.151  -0.856  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -3.223  -3.021   0.403  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.993  -4.305   0.145  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -5.343  -4.104  -0.269  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -5.690  -2.779  -0.656  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -4.630  -2.137  -1.536  0.00  0.00    +0.055 C 
ENDBRANCH  11  30
TORSDOF 4