REMARK  Name = BDB005216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.063   1.316  -2.356  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        2.731  -0.140  -2.048  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1        1.955  -0.286  -0.827  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1        2.592  -1.083   0.113  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        2.161  -1.417   1.200  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        3.894  -1.494  -0.447  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        4.921  -2.284   0.059  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        6.020  -2.514  -0.796  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        6.083  -1.973  -2.091  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.045  -1.183  -2.573  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.959  -0.947  -1.742  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.565   0.174  -0.735  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -0.433  -0.979  -0.691  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -1.864  -0.443  -0.634  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -2.091   0.465   0.509  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -1.123   1.574   0.496  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.331   1.096   0.458  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.510   0.926   0.559  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -4.458  -0.284   0.782  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -5.814   0.064   1.399  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -6.246   1.475   1.048  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -5.251   2.500   1.583  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -3.804   1.995   1.633  0.00  0.00    +0.019 C 
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  24
ATOM     24  C   LIG    1        5.003  -2.922   1.405  0.00  0.00    +0.242 C 
ATOM     25  O   LIG    1        5.874  -3.752   1.650  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        4.125  -2.573   2.383  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        4.150  -3.113   3.236  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        3.258  -2.070   2.194  0.00  0.00    +0.145 HD
ENDBRANCH   7  24
TORSDOF 3