REMARK  Name = BDB058145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.802  -0.332  -0.759  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.353  -0.961  -0.688  0.00  0.00    +0.012 C 
ATOM      3  C   LIG    1       -1.708  -0.996   0.742  0.00  0.00    -0.025 C 
ATOM      4  C   LIG    1       -0.334  -1.789   0.672  0.00  0.00    +0.002 C 
ATOM      5  C   LIG    1        0.623  -1.415  -0.513  0.00  0.00    -0.020 C 
ATOM      6  C   LIG    1        1.497  -0.161  -0.256  0.00  0.00    +0.062 C 
ATOM      7  C   LIG    1        2.653  -0.734   0.540  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1        2.563  -2.244   0.644  0.00  0.00    +0.010 C 
ATOM      9  C   LIG    1        3.911  -2.945   0.581  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.768  -2.614   1.907  0.00  0.00    +0.013 C 
ATOM     11  N   LIG    1        3.610  -0.059   1.095  0.00  0.00    -0.093 NA
ATOM     12  C   LIG    1       -0.138  -1.340  -1.840  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1        1.711  -2.514  -0.601  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1        0.435  -1.856   2.018  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -1.530   0.432   1.307  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -2.663  -1.770   1.716  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1       -4.107  -1.911   1.236  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -1.370  -0.447  -1.760  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1       -4.607  -0.664   0.528  0.00  0.00    +0.018 C 
ATOM     20  C   LIG    1       -4.532  -0.946  -1.982  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1  21
ATOM     21  C   LIG    1       -3.842   1.200  -0.946  0.00  0.00    +0.313 C 
ATOM     22  O   LIG    1       -2.876   1.941  -1.044  0.00  0.00    -0.250 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -5.137   1.640  -0.985  0.00  0.00    -0.465 OA
BRANCH  23  25
ATOM     24  C   LIG    1       -6.758   3.383  -1.170  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1       -5.278   3.056  -1.151  0.00  0.00    +0.229 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH  11  26
ATOM     26  O   LIG    1        3.451   1.310   0.845  0.00  0.00    -0.393 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.579   2.018   1.362  0.00  0.00    +0.273 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.524   2.435   0.243  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        5.963   1.353  -0.767  0.00  0.00    +0.172 C 
ATOM     30  O   LIG    1        5.673   2.246  -1.879  0.00  0.00    -0.378 OA
ATOM     31  C   LIG    1        4.877   3.084  -0.998  0.00  0.00    +0.172 C 
ATOM     32  C   LIG    1        6.705   3.244   0.786  0.00  0.00    +0.019 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 6