REMARK  Name = BDB021790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.509  -1.757  -1.532  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.818  -1.333  -1.308  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.960  -0.221  -0.514  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1        1.233  -0.068   0.166  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.776  -1.932  -1.795  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.145   0.530  -0.306  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.238   1.408   0.790  0.00  0.00    +0.035 A 
ATOM      8  I   LIG    1        1.690   1.613   2.196  0.00  0.00    -0.042 I 
ATOM      9  C   LIG    1        4.389   2.180   1.005  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        5.468   2.094   0.118  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        5.379   1.234  -0.980  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        4.228   0.465  -1.190  0.00  0.00    +0.025 A 
BRANCH  10  13
ATOM     13  C   LIG    1        6.714   2.890   0.292  0.00  0.00    +0.339 C 
ATOM     14  O   LIG    1        7.653   2.850  -0.486  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        6.646   3.644   1.417  0.00  0.00    -0.464 OA
ATOM     16  C   LIG    1        7.812   4.435   1.655  0.00  0.00    +0.280 C 
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1       -2.935   0.264  -0.100  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1       -1.962  -0.135   0.914  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -1.076  -1.268   0.381  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -0.752  -1.100  -1.112  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -0.889   0.357  -1.566  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -2.307   0.873  -1.283  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -4.091   1.046   0.389  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1       -5.065   0.103   1.110  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.706   2.259   1.270  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -5.603   3.805   0.527  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -4.871   3.161   1.694  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1        0.353  -3.029  -2.252  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.010  -4.168  -1.327  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -1.303  -4.711  -1.327  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.633  -5.754  -0.460  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.675  -6.265   0.414  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.613  -5.735   0.422  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        0.945  -4.692  -0.443  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 9