REMARK  Name = BDB021820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.607  -0.383   0.784  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.479  -1.457   0.592  0.00  0.00    +0.303 C 
ATOM      3  N   LIG    1       -2.616  -1.421   1.358  0.00  0.00    -0.295 N 
ATOM      4  H   LIG    1       -2.948  -0.496   1.581  0.00  0.00    +0.151 HD
ATOM      5  O   LIG    1       -1.250  -2.373  -0.194  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.243  -0.053  -1.025  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        2.645   1.148  -0.454  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.118   1.026  -0.438  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.637  -0.378  -0.018  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.755  -1.166   0.672  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.991  -1.262  -0.230  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.631   0.122  -1.499  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        5.060  -1.088  -2.338  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.640   0.469  -0.375  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        8.005  -0.411  -0.773  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        7.062   0.780  -0.865  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       -3.667  -2.397   1.169  0.00  0.00    +0.141 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.707  -1.886   0.204  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -4.560  -2.095  -1.172  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -5.508  -1.598  -2.071  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -6.591  -0.841  -1.620  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -6.763  -0.673  -0.244  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -5.818  -1.168   0.661  0.00  0.00    +0.007 A 
BRANCH  21  24
ATOM     24  N   LIG    1       -7.597  -0.446  -2.511  0.00  0.00    -0.358 N 
ATOM     25  H   LIG    1       -8.147   0.341  -2.183  0.00  0.00    +0.142 HD
ATOM     26  H   LIG    1       -7.269  -0.321  -3.463  0.00  0.00    +0.142 HD
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1       -0.659   0.447   1.994  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.668   1.578   1.954  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -2.038   2.196   3.159  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.963   3.243   3.171  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.526   3.689   1.978  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.161   3.093   0.773  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.235   2.049   0.759  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9