REMARK  Name = BDB029454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.172  -0.740  -1.058  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.146  -0.250  -1.220  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1        1.923  -0.662  -2.317  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1        1.426  -1.607  -3.216  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        0.155  -2.153  -3.027  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -0.629  -1.728  -1.949  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        1.691   0.736  -0.245  0.00  0.00    +0.268 C 
ATOM      8  N   LIG    1        3.034   0.624   0.053  0.00  0.00    -0.190 N 
ATOM      9  H   LIG    1        3.679   0.092  -0.517  0.00  0.00    +0.183 HD
ATOM     10  O   LIG    1        0.933   1.558   0.265  0.00  0.00    -0.268 OA
BRANCH   8  11
ATOM     11  O   LIG    1        3.592   1.755   0.697  0.00  0.00    -0.277 OA
BRANCH  11  12
ATOM     12  C   LIG    1        3.667   1.487   2.105  0.00  0.00    +0.218 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.157   2.750   2.803  0.00  0.00    +0.186 C 
BRANCH  13  14
ATOM     14  O   LIG    1        5.483   3.066   2.379  0.00  0.00    -0.393 OA
ATOM     15  H   LIG    1        5.438   3.153   1.409  0.00  0.00    +0.209 HD
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  16
ATOM     16  N   LIG    1       -0.968  -0.366   0.063  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1       -0.607   0.515   0.461  0.00  0.00    +0.152 HD
BRANCH  16  20
ATOM     18  C   LIG    1       -2.229  -0.999   2.572  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1       -3.023  -0.577   1.365  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1       -2.385  -0.319   0.135  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -3.155   0.126  -0.951  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -4.543   0.247  -0.846  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -5.170  -0.048   0.360  0.00  0.00    +0.014 A 
ATOM     24  I   LIG    1       -7.234   0.135   0.523  0.00  0.00    -0.044 I 
ATOM     25  C   LIG    1       -4.419  -0.451   1.464  0.00  0.00    +0.019 A 
ENDBRANCH  16  20
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -0.344  -3.145  -3.933  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1       -0.738  -3.947  -4.674  0.00  0.00    -0.191 NA
ENDBRANCH   5  26
TORSDOF 8