REMARK  Name = BDB021771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.591   0.042  -0.975  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.489  -0.760  -0.260  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.767  -0.790  -0.774  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.828  -0.699  -1.774  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.143  -1.402   0.729  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.398  -0.311   0.437  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.649  -1.552   0.245  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.516  -1.319  -0.760  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.835   0.051  -0.571  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.087   0.608   0.835  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.593   0.724   1.106  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.737  -0.456   1.036  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -4.764  -1.302   2.319  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.754  -1.028   0.019  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -6.261   1.180  -1.169  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -5.845  -0.276  -1.315  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.921  -1.297  -0.141  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        4.004  -1.549   1.227  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        5.194  -2.026   1.786  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        6.319  -2.252   0.992  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        6.245  -1.989  -0.374  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        5.054  -1.510  -0.935  0.00  0.00    +0.027 A 
BRANCH  20  23
ATOM     23  O   LIG    1        7.414  -2.717   1.666  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        8.577  -2.989   0.895  0.00  0.00    +0.277 C 
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   1  25
ATOM     25  C   LIG    1        0.999   1.101  -1.908  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.057   2.469  -1.267  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        0.122   3.457  -1.611  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        0.173   4.718  -1.016  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        1.156   5.006  -0.071  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.089   4.033   0.280  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.041   2.771  -0.314  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8