REMARK  Name = BDB021832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.660   2.060  -1.060  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.694   1.817  -1.336  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.068   0.491  -1.300  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -0.334  -0.182  -1.431  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.470   2.736  -1.590  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        4.297  -0.221  -0.630  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        3.276  -0.706  -1.566  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        2.300   0.410  -1.942  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.654   1.020  -0.691  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        2.752   1.467   0.283  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.696   0.305   0.602  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        5.385  -1.205  -0.417  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        6.634  -0.472   0.088  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.000  -2.410   0.476  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        6.951  -3.421   1.779  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        6.064  -3.515   0.546  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       -2.377  -0.035  -1.361  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -2.504  -1.419  -1.535  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -3.765  -2.022  -1.592  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.926  -1.251  -1.467  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1       -4.795   0.131  -1.280  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -3.533   0.733  -1.225  0.00  0.00    +0.023 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -6.296  -1.891  -1.536  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -7.065  -1.732  -0.299  0.00  0.00    -0.298 NA
ATOM     25  C   LIG    1       -8.432  -2.232  -0.436  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -8.914  -2.305   1.004  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -7.649  -2.498   1.835  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1       -6.504  -2.473   0.832  0.00  0.00    +0.085 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   1  29
ATOM     29  C   LIG    1        1.128   3.438  -1.281  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1        1.236   4.272  -0.021  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1        0.180   4.351   0.898  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        0.288   5.142   2.044  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        1.449   5.873   2.281  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        2.500   5.821   1.369  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        2.393   5.031   0.223  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 9