REMARK  Name = BDB009177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.263  -3.081  -0.802  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.215  -2.853   0.202  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.579  -2.740  -0.118  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.975  -2.903  -1.453  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.031  -3.147  -2.452  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.678  -3.237  -2.128  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.920  -3.868  -1.215  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.192  -3.189  -0.501  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        1.647  -2.462   0.582  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        1.037  -1.773   0.997  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.062  -2.391   0.894  0.00  0.00    +0.106 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.804  -1.343   0.062  0.00  0.00    +0.034 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.413   0.088   0.460  0.00  0.00    +0.086 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.046   1.127  -0.368  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        3.499   2.464  -0.085  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        4.399   3.317   0.807  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        5.770   3.533   0.170  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        6.165   2.385  -0.757  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1        5.516   1.072  -0.322  0.00  0.00    +0.084 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.599  -2.516   0.976  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.624  -1.431   0.653  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.271   0.008   0.871  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -2.913   0.404   1.377  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -2.626   1.903   1.250  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.835   2.734   1.662  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.053   2.392   0.802  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.227   0.912   0.595  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -6.543   0.469   0.069  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -7.430   1.268  -0.210  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -6.701  -0.881  -0.085  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -7.595  -1.205  -0.440  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -5.775  -1.833   0.202  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7