REMARK  Name = BDB021713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.440  -0.700   1.530  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.460   0.163   1.110  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.683  -0.073   1.702  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.638  -0.438   2.639  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.258   1.067   0.303  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.327   0.471  -0.104  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        2.174   0.371  -1.007  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.149  -0.612  -0.438  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.947  -0.437   1.078  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.482   0.915   1.565  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.955   1.095   1.178  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.454   1.158  -0.757  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.751   1.076   0.061  0.00  0.00    +0.015 C 
BRANCH  13  15
ATOM     14  C   LIG    1        7.390   1.115  -1.899  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        6.933   1.780  -0.611  0.00  0.00    -0.002 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -3.930   0.461   1.317  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -4.163   1.063   0.078  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -5.437   1.553  -0.258  0.00  0.00    -0.046 A 
ATOM     19  C   LIG    1       -6.480   1.435   0.667  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -6.259   0.824   1.899  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.992   0.334   2.220  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  C   LIG    1       -5.665   2.224  -1.589  0.00  0.00    +0.032 C 
ATOM     23  C   LIG    1       -5.352   3.711  -1.533  0.00  0.00    +0.009 C 
ENDBRANCH  18  22
ENDBRANCH   3  16
BRANCH   1  24
ATOM     24  C   LIG    1       -0.694  -2.041   2.076  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -0.674  -3.127   1.025  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        0.347  -4.088   1.013  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        0.367  -5.091   0.042  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -0.633  -5.145  -0.926  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.654  -4.197  -0.925  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.676  -3.194   0.045  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 8