REMARK  Name = BDB006953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.121  -1.183  -0.827  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.927  -0.757  -0.036  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.148   0.408   0.720  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.429   0.380   1.288  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        2.905   1.430   2.072  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.071   2.520   2.309  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        0.777   2.545   1.769  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        3.182  -0.895   0.932  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        3.495  -1.668   2.230  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        0.316   1.484   0.973  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        2.077  -1.663   0.150  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1       -0.133  -2.340  -1.272  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        4.404  -0.606   0.045  0.00  0.00    -0.036 A 
ATOM     14  C   LIG    1        4.250   0.095  -1.169  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.343   0.373  -1.995  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.617  -0.043  -1.626  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.796  -0.735  -0.433  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.703  -1.013   0.394  0.00  0.00    +0.004 A 
ENDBRANCH   8  13
BRANCH   7  19
ATOM     19  C   LIG    1       -0.090   3.657   2.031  0.00  0.00    +0.099 C 
ATOM     20  N   LIG    1       -0.803   4.550   2.232  0.00  0.00    -0.191 NA
ENDBRANCH   7  19
BRANCH   1  21
ATOM     21  C   LIG    1       -1.270  -0.246  -1.216  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.504   0.663  -0.642  0.00  0.00    +0.097 C 
ATOM     23  N   LIG    1       -2.329  -0.146  -0.180  0.00  0.00    -0.286 NA
ATOM     24  C   LIG    1       -2.829  -1.478   0.246  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -3.685  -2.219  -0.815  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -4.185  -3.551  -0.258  0.00  0.00    +0.025 C 
ATOM     27  N   LIG    1       -4.848  -1.413  -1.236  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -5.468  -1.295  -0.433  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -4.410  -0.076  -1.675  0.00  0.00    +0.102 C 
BRANCH  22  30
ATOM     30  C   LIG    1       -3.139   2.073  -1.175  0.00  0.00    +0.179 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -4.679   3.598  -0.198  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1       -4.296   2.891  -1.373  0.00  0.00    -0.381 OA
ENDBRANCH  30  32
ENDBRANCH  22  30
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6