REMARK  Name = BDB058283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.129   1.360  -1.363  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -0.816   0.610  -0.743  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.956   1.127  -2.713  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1       -1.300   1.858  -3.637  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.821   2.547   0.674  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -1.677   2.504  -0.730  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.059   3.638  -1.464  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -2.552   4.785  -0.831  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.671   4.826   0.551  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.306   3.712   1.302  0.00  0.00    +0.017 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -1.500   1.425   1.595  0.00  0.00    +0.341 C 
ATOM     12  O   LIG    1       -1.161   1.587   2.757  0.00  0.00    -0.245 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -1.598  -0.892   1.869  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1       -1.725   0.230   0.993  0.00  0.00    -0.464 OA
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1       -0.278  -0.198  -3.006  0.00  0.00    +0.111 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.143  -0.235  -2.443  0.00  0.00    +0.094 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.177  -0.630  -1.019  0.00  0.00    -0.297 NA
ATOM     18  C   LIG    1        1.060  -2.103  -0.884  0.00  0.00    +0.119 C 
ATOM     19  C   LIG    1        1.300  -2.614   0.521  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.001  -1.841   1.462  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1        2.229  -2.346   2.748  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.789  -3.624   3.091  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        1.114  -4.403   2.154  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.436  -0.443   1.109  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1        0.873  -3.903   0.874  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        2.448  -0.198  -0.405  0.00  0.00    +0.089 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 6