REMARK  Name = BDB004746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.062  -0.095   0.060  0.00  0.00    -0.320 N 
ATOM      2  H   LIG    1       -0.252   0.558   0.774  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.418  -0.399   0.294  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.355   0.653   0.372  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.694   0.291   0.621  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        4.644   1.331   0.713  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        4.272   2.680   0.551  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        2.956   3.023   0.290  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        4.033  -1.010   0.758  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.066  -1.927   0.639  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        2.005   2.016   0.199  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        1.778  -1.685   0.411  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        6.097   1.093   0.983  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        6.901   2.019   1.035  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        6.523  -0.187   1.174  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        5.876  -0.967   1.107  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        7.505  -0.358   1.336  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.877  -1.225  -0.041  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.281  -0.719   0.288  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -2.898   0.293  -0.463  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -4.178   0.756  -0.140  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.865   0.219   0.947  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1       -4.257  -0.782   1.706  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -2.979  -1.249   1.383  0.00  0.00    +0.009 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -6.114   0.580   1.371  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1       -6.789   1.569   0.604  0.00  0.00    +0.277 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
BRANCH  18  27
ATOM     27  C   LIG    1       -0.806  -1.976  -1.415  0.00  0.00    +0.107 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -0.042  -0.327  -3.047  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -1.101  -1.258  -2.678  0.00  0.00    -0.317 NA
ATOM     30  H   LIG    1       -1.183  -1.955  -3.418  0.00  0.00    +0.122 HD
ENDBRANCH  27  29
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 7