REMARK  Name = BDB048742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.689   0.347   0.177  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -2.161  -0.715  -0.588  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.773  -0.817  -0.719  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        0.113   0.079  -0.137  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.415  -0.254  -0.423  0.00  0.00    -0.226 NA
ATOM      6  C   LIG    1        1.338  -1.334  -1.175  0.00  0.00    +0.160 A 
ATOM      7  C   LIG    1       -0.398   1.142   0.615  0.00  0.00    +0.032 A 
ATOM      8  N   LIG    1        0.034  -1.702  -1.380  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -0.247  -2.500  -1.931  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -1.792   1.262   0.756  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -8.274   0.654   1.143  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -6.827   0.642   1.343  0.00  0.00    -0.302 NA
ATOM     13  C   LIG    1       -6.187   1.750   0.597  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1       -4.648   1.749   0.744  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1       -4.087   0.455   0.300  0.00  0.00    -0.327 N 
ATOM     16  C   LIG    1       -4.705  -0.688   1.016  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -6.247  -0.641   0.888  0.00  0.00    +0.103 C 
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  C   LIG    1        2.533  -2.135  -1.788  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1        3.922  -1.865  -1.658  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        4.532  -2.858  -2.392  0.00  0.00    +0.113 A 
ATOM     21  N   LIG    1        3.529  -3.632  -2.895  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1        3.612  -4.455  -3.483  0.00  0.00    +0.188 HD
ATOM     23  N   LIG    1        2.299  -3.221  -2.544  0.00  0.00    -0.170 NA
BRANCH  19  24
ATOM     24  C   LIG    1        4.563  -0.812  -0.936  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1        5.884  -0.560  -0.911  0.00  0.00    +0.010 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.501   0.538  -0.154  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1        5.899   1.781   0.037  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        6.468   2.817   0.703  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        7.705   2.610   1.199  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        8.401   1.422   1.055  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.790   0.377   0.363  0.00  0.00    +0.011 A 
ENDBRANCH  25  26
ENDBRANCH  19  24
ENDBRANCH   6  18
TORSDOF 4