REMARK  Name = BDB007727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.455   1.237   0.495  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.011   1.332  -0.800  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.456   0.786  -1.514  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.233   1.489   1.478  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        4.111   0.468  -0.112  0.00  0.00    +0.120 A 
ATOM      6  N   LIG    1        4.442  -0.150   1.035  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        3.503  -0.283   1.998  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        2.206   0.159   1.866  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.853   0.762   0.664  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.817   0.927  -0.333  0.00  0.00    +0.056 A 
BRANCH   5  11
ATOM     11  N   LIG    1        5.043   0.621  -1.143  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        5.016   1.582  -1.473  0.00  0.00    +0.148 HD
BRANCH  11  16
ATOM     13  C   LIG    1        9.424  -0.141  -0.270  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        8.238  -0.121   0.585  0.00  0.00    -0.304 NA
ATOM     15  C   LIG    1        7.242   0.868   0.123  0.00  0.00    +0.106 C 
ATOM     16  C   LIG    1        6.427   0.163  -0.972  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1        6.594  -1.331  -0.704  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        7.502  -1.398   0.521  0.00  0.00    +0.086 C 
ENDBRANCH  11  16
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -1.417   1.605  -1.058  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.264   0.330  -0.950  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.858  -0.583  -1.986  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -2.619  -1.193  -2.082  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.765   0.644  -1.125  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.580  -0.593  -1.185  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.946  -0.305  -1.672  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.971  -0.079  -0.587  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.967  -0.962   0.506  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.945  -0.863   1.496  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.920   0.131   1.403  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.924   1.014   0.322  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.873  -1.995   0.534  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.956   0.907  -0.677  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.556  -1.321   0.110  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8