REMARK  Name = BDB021741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.912   0.710  -0.280  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.598  -0.473   0.039  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.879  -0.261   0.503  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        3.021   0.646   0.919  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.074  -1.578  -0.074  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.878  -1.226   0.768  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        5.017  -0.844   1.512  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1        5.200   0.548   2.052  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        6.025  -1.793   1.761  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        5.906  -3.091   1.280  0.00  0.00    +0.117 A 
ATOM     11  C   LIG    1        4.797  -3.472   0.542  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        3.789  -2.538   0.284  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  O   LIG    1        6.914  -3.967   1.556  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1        6.681  -4.831   1.178  0.00  0.00    +0.292 HD
ENDBRANCH  10  13
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1       -3.138   0.025  -1.368  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1       -2.107  -0.743  -2.067  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.770   0.002  -2.006  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -0.521   0.645  -0.632  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1       -1.400   0.008   0.452  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -2.884   0.123   0.077  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.519  -0.346  -1.743  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1       -5.511   0.678  -1.177  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -4.901  -1.810  -1.402  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -7.370  -2.153  -0.842  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -6.285  -2.244  -1.906  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1        1.632   1.912  -0.722  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.056   2.828   0.405  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        1.270   3.011   1.551  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        1.687   3.869   2.571  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.888   4.564   2.453  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.671   4.408   1.312  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.255   3.550   0.291  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8