REMARK  Name = BDB021969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.343  -1.780  -0.579  0.00  0.00    -0.266 N 
ATOM      2  H   LIG    1       -3.067  -1.077  -0.549  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.066  -1.363  -0.858  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1       -0.813  -0.013  -0.570  0.00  0.00    -0.282 N 
ATOM      5  O   LIG    1       -0.192  -2.085  -1.334  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.749   0.895   0.136  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1       -1.078   1.849   1.135  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -2.132   2.713   1.821  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -3.060   3.336   0.879  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1       -4.059   4.222   1.267  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1       -4.779   4.813   0.463  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -4.239   4.436   2.750  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -2.814   3.121  -0.542  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -2.655   1.639  -0.866  0.00  0.00    +0.041 C 
ENDBRANCH   4   6
BRANCH   1  16
ATOM     15  C   LIG    1       -4.271  -3.220  -0.553  0.00  0.00    +0.141 A 
ATOM     16  C   LIG    1       -2.867  -3.092  -0.633  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1       -2.073  -4.236  -0.733  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -2.664  -5.500  -0.767  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.049  -5.627  -0.696  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.854  -4.491  -0.587  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -6.385  -2.123  -0.405  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.966  -2.036  -0.445  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
ENDBRANCH   1  16
BRANCH   4  23
ATOM     23  C   LIG    1        0.440   0.536  -1.105  0.00  0.00    +0.111 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.639   0.284  -0.187  0.00  0.00    +0.034 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.933   0.792  -0.837  0.00  0.00    +0.086 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.099   0.725   0.060  0.00  0.00    -0.302 NA
ATOM     27  C   LIG    1        5.271   1.398  -0.523  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1        6.269   0.443  -1.177  0.00  0.00    +0.018 C 
ATOM     29  C   LIG    1        6.812  -0.588  -0.174  0.00  0.00    -0.012 C 
ATOM     30  C   LIG    1        8.177  -0.175   0.377  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1        5.821  -0.829   0.975  0.00  0.00    +0.018 C 
ATOM     32  C   LIG    1        4.380  -0.653   0.501  0.00  0.00    +0.084 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7