REMARK  Name = BDB047835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.679  -2.105   0.304  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        1.984  -1.754  -0.098  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1        2.898  -2.806  -0.304  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        2.538  -4.147  -0.137  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.235  -4.461   0.255  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1        0.300  -3.447   0.482  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        2.480  -0.463  -0.297  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        3.013   0.158   0.939  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        3.568   1.565   0.618  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        2.553   2.515   0.110  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        3.155   3.481  -0.803  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        1.407   1.809  -0.503  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        1.750   0.465  -1.188  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  16
ATOM     14  N   LIG    1       -1.339  -1.003  -0.342  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -1.255  -1.619  -1.141  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -0.353  -1.097   0.623  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1       -0.267  -0.491   1.680  0.00  0.00    -0.270 OA
BRANCH  14  20
ATOM     18  C   LIG    1       -3.813   1.669   0.558  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1       -2.699   0.822   0.640  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -2.442  -0.125  -0.353  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -3.318  -0.217  -1.440  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -4.430   0.622  -1.529  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.678   1.565  -0.531  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.061   3.422   1.576  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.940   2.549   1.599  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  14  20
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  N   LIG    1        0.844  -5.864   0.430  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1       -0.361  -6.107   0.584  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1        1.738  -6.720   0.399  0.00  0.00    -0.126 OA
ENDBRANCH   5  26
TORSDOF 5