REMARK  Name = BDB045577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.686   0.006   0.473  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        1.362  -0.301   0.131  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        0.933  -1.568  -0.222  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.412  -1.567  -0.495  0.00  0.00    -0.228 NA
ATOM      5  C   LIG    1       -0.827  -0.321  -0.331  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1        1.858  -2.620  -0.255  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.196  -2.349   0.063  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.230   0.471   0.051  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1        0.214   1.465   0.238  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        3.603  -1.057   0.418  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.203   0.156  -0.521  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -3.200  -0.767  -0.873  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -4.518  -0.351  -1.062  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1       -5.726  -1.500  -1.491  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -4.866   0.988  -0.906  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -3.887   1.917  -0.558  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -2.564   1.504  -0.368  0.00  0.00    +0.011 A 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     18  N   LIG    1        4.264   1.641   1.382  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        4.433   2.581   1.717  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        4.875   0.914   1.720  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        3.031   1.401   0.846  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        2.220   2.311   0.706  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2