REMARK  Name = BDB053727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.883   0.742  -0.370  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.364   1.786   0.422  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1        0.395   2.790   0.465  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -0.695   2.349  -0.288  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1       -1.824   3.082  -0.464  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1       -1.822   4.301   0.106  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -0.776   4.838   0.832  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        0.376   4.081   1.019  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -0.381   1.083  -0.829  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -1.168   0.294  -1.758  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1       -2.367  -0.240  -1.298  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -3.188  -1.046  -2.195  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -3.434  -2.451  -1.608  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1       -3.583  -2.517  -0.135  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1       -2.664  -2.767   0.239  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.928  -1.192   0.408  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -2.872  -0.117   0.073  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1       -0.754   0.089  -2.897  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1        2.622   1.800   1.104  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        2.732   2.369   2.380  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.960   2.374   3.046  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.083   1.808   2.447  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.981   1.231   1.183  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.755   1.223   0.513  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1        1.600  -0.376  -0.550  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1        1.736  -2.405  -2.539  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        1.115  -2.629  -1.191  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1        1.042  -1.598  -0.244  0.00  0.00    +0.133 A 
ATOM     29  C   LIG    1        0.481  -1.829   1.018  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -0.056  -3.078   1.325  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -0.027  -4.097   0.376  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.554  -3.874  -0.874  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4