REMARK  Name = BDB045470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.720  -2.625   1.518  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1       -1.223  -1.511   0.639  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1       -0.351  -0.628  -0.040  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.896   0.379  -0.846  0.00  0.00    +0.036 A 
ATOM      5  C   LIG    1       -2.284   0.530  -0.969  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -3.143  -0.344  -0.300  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.614  -1.356   0.497  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.811   1.609  -1.844  0.00  0.00    +0.242 C 
ATOM      9  O   LIG    1       -2.186   2.030  -2.807  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1       -4.026   2.142  -1.507  0.00  0.00    -0.325 N 
ATOM     11  H   LIG    1       -4.404   2.039  -0.577  0.00  0.00    +0.145 HD
ATOM     12  H   LIG    1       -4.292   2.969  -2.027  0.00  0.00    +0.145 HD
ENDBRANCH   5   8
BRANCH   3  13
ATOM     13  N   LIG    1        1.046  -0.806   0.111  0.00  0.00    -0.282 N 
ATOM     14  H   LIG    1        1.339  -1.590   0.675  0.00  0.00    +0.155 HD
ATOM     15  C   LIG    1        2.052   0.015  -0.351  0.00  0.00    +0.241 C 
ATOM     16  O   LIG    1        1.958   1.074  -0.953  0.00  0.00    -0.270 OA
BRANCH  15  17
ATOM     17  C   LIG    1        3.390  -0.551  -0.045  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1        4.363   0.159   0.543  0.00  0.00    +0.096 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.216   1.522   1.066  0.00  0.00    +0.330 C 
ATOM     20  O   LIG    1        5.085   2.373   1.032  0.00  0.00    -0.246 OA
BRANCH  19  21
ATOM     21  O   LIG    1        3.057   1.703   1.714  0.00  0.00    -0.478 OA
ATOM     22  H   LIG    1        3.069   2.652   1.957  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  15  17
ENDBRANCH   3  13
TORSDOF 5