REMARK  Name = BDB021881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.138  -0.147   0.004  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.890   1.019   0.235  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.249   0.852   0.070  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.581  -0.097   0.154  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.356   2.072   0.572  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.118  -0.197   0.140  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        2.451  -1.168   1.019  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        0.963  -1.369   0.708  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.323  -0.059   0.235  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.060   0.505  -0.995  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.470  -0.072  -1.161  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.585  -0.362   0.123  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        5.070  -1.459  -0.836  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.250   1.004  -0.173  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.360   2.385  -0.155  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        6.769   0.995   0.025  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       -4.246   1.848   0.085  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -5.580   1.417   0.134  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -6.630   2.340   0.137  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -6.343   3.699   0.083  0.00  0.00    +0.117 A 
ATOM     21  C   LIG    1       -5.029   4.142   0.025  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -3.980   3.217   0.024  0.00  0.00    +0.027 A 
BRANCH  20  23
ATOM     23  O   LIG    1       -7.333   4.636   0.083  0.00  0.00    -0.507 OA
ATOM     24  H   LIG    1       -8.189   4.183   0.145  0.00  0.00    +0.292 HD
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   1  25
ATOM     25  C   LIG    1       -1.641  -1.232  -0.848  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.432  -2.304  -0.127  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.511  -2.391   1.271  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.259  -3.400   1.882  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.935  -4.337   1.105  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.863  -4.269  -0.283  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.115  -3.261  -0.895  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8