REMARK  Name = BDB052841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.541   0.800  -0.346  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.740   2.162  -0.588  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1        0.053   2.550  -1.672  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.720   1.413  -2.134  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        1.572   1.520  -3.256  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        1.770   2.759  -3.868  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.147   3.893  -3.365  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.293   3.811  -2.261  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.388   0.331  -1.269  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        0.899  -1.028  -1.391  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        1.705  -1.509  -0.361  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.240  -0.691   0.731  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        2.890  -1.538   1.839  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        3.933  -2.467   1.379  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.838  -1.997   1.377  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.669  -2.975   0.019  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.203  -2.883  -0.435  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.654  -1.688  -2.399  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.635   3.010   0.139  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.396   3.977  -0.533  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.273   4.801   0.176  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.401   4.663   1.557  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.656   3.697   2.231  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.779   2.869   1.527  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.228   0.192   0.634  0.00  0.00    -0.439 OA
BRANCH  25  29
ATOM     26  C   LIG    1       -1.221  -4.132   2.893  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -1.586  -3.281   1.713  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -1.267  -1.918   1.700  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -1.553  -1.140   0.577  0.00  0.00    +0.131 A 
ATOM     30  C   LIG    1       -2.199  -1.700  -0.524  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -2.508  -3.059  -0.522  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -2.193  -3.848   0.586  0.00  0.00    +0.003 A 
ENDBRANCH  25  29
ENDBRANCH   1  25
TORSDOF 4