REMARK  Name = BDB049971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.025  -1.198  -0.400  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        2.239  -0.609  -1.382  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.007  -1.266  -1.804  0.00  0.00    +0.117 C 
ATOM      4  C   LIG    1        0.092  -0.157  -2.341  0.00  0.00    +0.057 C 
ATOM      5  C   LIG    1        1.098   0.917  -2.773  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1        2.216   0.803  -1.745  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        2.737  -2.301   0.063  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        6.767   0.876   2.299  0.00  0.00    +0.067 C 
ATOM      9  C   LIG    1        5.853   0.424   1.224  0.00  0.00    +0.060 A 
ATOM     10  N   LIG    1        6.102   0.740  -0.052  0.00  0.00    -0.178 NA
ATOM     11  N   LIG    1        5.107   0.144  -0.730  0.00  0.00    -0.272 N 
ATOM     12  H   LIG    1        5.125   0.188  -1.742  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1        4.184  -0.477   0.061  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        4.679  -0.350   1.344  0.00  0.00    +0.057 A 
ENDBRANCH   1  13
BRANCH   4  15
ATOM     15  C   LIG    1       -0.906   0.304  -1.295  0.00  0.00    +0.047 A 
ATOM     16  N   LIG    1       -0.624   1.419  -0.583  0.00  0.00    -0.256 NA
ATOM     17  C   LIG    1       -1.501   1.814   0.368  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -1.161   3.053   1.142  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -2.675   1.123   0.639  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -2.968  -0.026  -0.096  0.00  0.00    -0.012 A 
ATOM     21  C   LIG    1       -2.066  -0.438  -1.079  0.00  0.00    +0.032 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.184  -0.783   0.142  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -4.817  -0.911   1.362  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1       -5.900  -1.716   1.150  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1       -6.867  -2.148   2.130  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1       -6.024  -2.123  -0.125  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1       -4.978  -1.558  -0.735  0.00  0.00    +0.142 A 
ENDBRANCH  20  22
ENDBRANCH   4  15
TORSDOF 3