REMARK  Name = BDB020996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.284  -0.690  -0.544  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        1.522  -0.194  -0.117  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.637  -1.050  -0.163  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        4.023  -1.014   0.150  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1        4.626  -2.192  -0.071  0.00  0.00    -0.169 NA
ATOM      6  N   LIG    1        3.637  -2.970  -0.559  0.00  0.00    -0.249 N 
ATOM      7  C   LIG    1        3.930  -4.329  -0.938  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1        2.424  -2.343  -0.631  0.00  0.00    +0.159 A 
ATOM      9  N   LIG    1        1.264  -2.875  -1.070  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        0.231  -1.997  -1.021  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -4.402  -3.667   1.030  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.947  -2.281   1.272  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -4.134  -1.207   0.925  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -2.713  -1.373   0.606  0.00  0.00    +0.163 C 
ATOM     15  C   LIG    1       -2.139  -0.152  -0.020  0.00  0.00    +0.064 A 
ATOM     16  N   LIG    1       -2.857   1.010  -0.172  0.00  0.00    -0.328 N 
ATOM     17  C   LIG    1       -2.042   1.959  -0.715  0.00  0.00    +0.114 A 
ATOM     18  N   LIG    1       -0.831   1.484  -0.902  0.00  0.00    -0.232 NA
ATOM     19  C   LIG    1       -4.242   1.155   0.217  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -0.881   0.167  -0.504  0.00  0.00    +0.095 A 
ATOM     21  C   LIG    1       -4.582   0.138   1.297  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -6.075  -2.134   1.742  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -2.444   3.420  -1.060  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.408   3.667  -2.191  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -1.958   4.017  -2.354  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   4  26
ATOM     26  C   LIG    1        4.764   0.134   0.665  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.432   1.469   0.720  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        5.503   2.099   1.290  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        5.638   3.510   1.555  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.510   1.267   1.611  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.061   0.070   1.217  0.00  0.00    +0.144 A 
ENDBRANCH   4  26
TORSDOF 3