REMARK  Name = BDB054351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.308   2.340   2.188  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -4.524   0.762   0.899  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1       -3.319   1.469   0.974  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.633   1.618   2.195  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -3.172   1.053   3.363  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1       -4.386   0.362   3.291  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -5.054   0.217   2.071  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  O   LIG    1       -2.438   1.218   4.507  0.00  0.00    -0.495 OA
ATOM      9  C   LIG    1       -2.990   0.724   5.720  0.00  0.00    +0.277 C 
ENDBRANCH   5   8
BRANCH   2  10
ATOM     10  C   LIG    1       -5.229   0.578  -0.425  0.00  0.00    +0.049 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.444  -0.295  -1.419  0.00  0.00    +0.102 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -5.188   0.845  -3.582  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.157  -0.444  -2.774  0.00  0.00    +0.011 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -4.186  -1.674  -0.852  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -3.096  -2.217  -0.765  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.302  -2.323  -0.468  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -4.967  -3.185  -0.143  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   2  10
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  N   LIG    1       -0.285   1.497   1.609  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -0.329   0.514   1.841  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        0.917   2.027   1.197  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        1.166   3.227   1.211  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        1.946   1.048   0.747  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        1.607  -0.202   0.224  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        2.613  -1.084  -0.187  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        3.976  -0.737  -0.107  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        4.295   0.519   0.426  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.293   1.407   0.838  0.00  0.00    +0.013 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.020  -1.757  -0.564  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        6.501  -1.418  -0.282  0.00  0.00    +0.008 C 
ATOM     30  C   LIG    1        7.125  -0.436  -1.278  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        6.898  -0.856  -2.724  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        5.422  -1.109  -3.006  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1        4.852  -2.152  -2.048  0.00  0.00    +0.008 C 
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 10