REMARK  Name = BDB046876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.453   5.333  -0.860  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -0.411   3.989  -0.496  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.298   2.985  -1.096  0.00  0.00    +0.146 C 
ATOM      4  C   LIG    1       -1.071   1.572  -0.625  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -2.105   0.832  -0.028  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -1.917  -0.506   0.366  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -0.661  -1.095   0.151  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1        0.381  -0.361  -0.417  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1        0.179   0.964  -0.802  0.00  0.00    +0.167 A 
ATOM     10  O   LIG    1        1.192   1.651  -1.412  0.00  0.00    -0.486 OA
ATOM     11  C   LIG    1        1.738   2.718  -0.617  0.00  0.00    +0.248 C 
ATOM     12  C   LIG    1        0.754   3.511   0.256  0.00  0.00    +0.149 C 
ATOM     13  O   LIG    1        0.415   6.133  -0.508  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1       -3.015  -1.274   0.974  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1       -3.465  -2.472   0.392  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -4.509  -3.211   0.965  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1       -5.119  -2.752   2.149  0.00  0.00    +0.162 A 
ATOM     18  C   LIG    1       -4.677  -1.562   2.732  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -3.637  -0.832   2.148  0.00  0.00    +0.012 A 
BRANCH  16  20
ATOM     20  O   LIG    1       -4.999  -4.387   0.452  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1       -4.468  -4.841  -0.784  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
BRANCH  17  22
ATOM     22  O   LIG    1       -6.130  -3.534   2.650  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -6.783  -3.092   3.831  0.00  0.00    +0.277 C 
ENDBRANCH  17  22
ENDBRANCH   6  14
BRANCH   1  25
ATOM     24  C   LIG    1       -1.613   7.262  -2.013  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -1.638   5.772  -1.710  0.00  0.00    +0.092 C 
ENDBRANCH   1  25
BRANCH   8  26
ATOM     26  O   LIG    1        1.588  -0.962  -0.656  0.00  0.00    -0.488 OA
BRANCH  26  27
ATOM     27  C   LIG    1        2.342  -1.093   0.554  0.00  0.00    +0.234 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.788  -1.500   0.232  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        4.491  -0.426  -0.621  0.00  0.00    +0.091 C 
ATOM     30  N   LIG    1        5.873  -0.766  -0.993  0.00  0.00    -0.305 NA
ATOM     31  C   LIG    1        6.801  -0.661   0.129  0.00  0.00    +0.104 C 
ATOM     32  C   LIG    1        5.938  -2.075  -1.655  0.00  0.00    +0.084 C 
ATOM     33  C   LIG    1        5.282  -3.208  -0.863  0.00  0.00    +0.016 C 
ATOM     34  C   LIG    1        3.846  -2.858  -0.483  0.00  0.00    +0.009 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 7