REMARK  Name = BDB044024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.482  -0.138  -0.120  0.00  0.00    +0.164 A 
ATOM      2  N   LIG    1        1.340   0.804   0.323  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        2.632   0.692  -0.018  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        3.107  -0.355  -0.805  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        4.477  -0.443  -1.146  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        5.372   0.522  -0.696  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.905   1.570   0.090  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.129  -1.256  -1.196  0.00  0.00    +0.224 A 
ATOM      9  C   LIG    1        3.546   1.644   0.420  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        0.831  -1.189  -0.884  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -3.680   0.249   0.995  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.259  -0.818   0.206  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -1.909  -0.940  -0.154  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.941  -0.005   0.262  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1       -1.393   1.062   1.058  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -2.740   1.187   1.418  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -5.953  -0.444   1.008  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -4.959   0.487   1.416  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   8  19
ATOM     19  O   LIG    1        2.434  -2.334  -1.969  0.00  0.00    -0.492 OA
ATOM     20  H   LIG    1        1.554  -2.743  -2.056  0.00  0.00    +0.294 HD
ENDBRANCH   8  19
TORSDOF 3