REMARK  Name = BDB021238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.980  -0.636  -0.458  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.406   0.595  -0.913  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        1.093   0.847  -0.560  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.748   2.060  -1.114  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.879   2.492  -1.765  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.319  -0.040   0.216  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.847  -1.165   0.609  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.900   1.586  -1.637  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        2.153  -1.432   0.256  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.222  -2.053   1.496  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        5.311  -1.652   0.069  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        4.331  -1.028  -0.755  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.966  -0.841  -1.963  0.00  0.00    +0.113 A 
ATOM     14  N   LIG    1        6.221  -1.346  -1.817  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        6.970  -1.371  -2.501  0.00  0.00    +0.188 HD
ATOM     16  N   LIG    1        6.453  -1.863  -0.600  0.00  0.00    -0.179 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        2.040   3.706  -2.507  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        2.130   4.699  -3.102  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -0.977   0.311   0.528  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.199   1.300   0.532  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.734  -0.436   1.518  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.172  -0.010   1.465  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.045  -0.463   0.480  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.828  -1.442  -0.613  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.100  -1.195  -1.423  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.102  -0.605  -0.563  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.372  -0.053   0.456  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -5.891   0.817   1.393  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.030   1.300   2.378  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -3.690   0.890   2.404  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -2.889   1.385   3.359  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5