REMARK  Name = BDB063204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.731  -1.295  -1.240  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1       -0.313  -0.859  -0.421  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.228  -2.506  -1.662  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1       -0.575  -3.033  -2.721  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.601  -0.463  -2.062  0.00  0.00    +0.117 C 
BRANCH   5  10
ATOM      6  C   LIG    1       -1.978   4.940   0.152  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -1.846   3.547  -0.401  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -1.404   3.341  -1.710  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.323   2.047  -2.232  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.700   0.931  -1.464  0.00  0.00    -0.026 A 
ATOM     11  C   LIG    1       -2.148   1.149  -0.153  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.225   2.442   0.368  0.00  0.00    +0.004 A 
ENDBRANCH   5  10
BRANCH   5  13
ATOM     13  C   LIG    1       -2.940  -1.142  -2.454  0.00  0.00    +0.119 C 
ATOM     14  C   LIG    1       -4.012  -0.197  -2.988  0.00  0.00    +0.021 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -3.530  -1.987  -1.339  0.00  0.00    +0.310 C 
ATOM     16  O   LIG    1       -3.726  -1.606  -0.190  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -3.873  -3.244  -1.740  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -3.597  -3.459  -2.656  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   5  13
ENDBRANCH   1   5
BRANCH   3  19
ATOM     19  C   LIG    1        0.706  -3.204  -0.682  0.00  0.00    +0.130 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.677  -2.282   0.017  0.00  0.00    -0.038 A 
ATOM     21  C   LIG    1        1.550  -2.022   1.388  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        2.409  -1.119   2.038  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        2.257  -0.902   3.526  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1        2.954   0.358   4.035  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        4.364   0.465   3.464  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        4.324   0.550   1.939  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1        3.419  -0.476   1.304  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1        3.549  -0.746  -0.066  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        2.691  -1.645  -0.702  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7