REMARK  Name = BDB062169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.394   0.796  -1.238  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -3.269   0.147  -0.746  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -2.761  -1.008  -1.485  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -1.238  -1.056  -1.420  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1       -0.699  -1.197   0.041  0.00  0.00    +0.059 C 
ATOM      6  C   LIG    1       -1.783  -0.697   1.047  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1       -2.592   0.478   0.506  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -5.028   0.393  -2.210  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -0.480  -2.664   0.364  0.00  0.00    +0.159 A 
ATOM     10  N   LIG    1        0.436  -3.123   1.272  0.00  0.00    -0.242 N 
ATOM     11  H   LIG    1        1.114  -2.616   1.827  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1        0.368  -4.457   1.357  0.00  0.00    -0.047 NA
ATOM     13  N   LIG    1       -0.588  -4.810   0.510  0.00  0.00    -0.023 NA
ATOM     14  N   LIG    1       -1.127  -3.710  -0.110  0.00  0.00    -0.113 NA
ENDBRANCH   5   9
BRANCH   5  15
ATOM     15  C   LIG    1        0.653  -0.440   0.108  0.00  0.00    -0.033 A 
ATOM     16  C   LIG    1        1.704  -0.829  -0.751  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        2.954  -0.198  -0.720  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        3.188   0.842   0.172  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.160   1.242   1.025  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        0.909   0.614   0.996  0.00  0.00    +0.008 A 
BRANCH  18  21
ATOM     21  O   LIG    1        4.353   1.540   0.313  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.425   1.201  -0.566  0.00  0.00    +0.225 C 
ATOM     23  C   LIG    1        6.597   2.113  -0.249  0.00  0.00    +0.048 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   5  15
BRANCH   1  25
ATOM     24  C   LIG    1       -6.031   2.557  -0.734  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -4.808   2.046  -0.540  0.00  0.00    +0.060 C 
ENDBRANCH   1  25
TORSDOF 5