REMARK  Name = BDB037002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.649   0.921   1.128  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        0.339   0.722   0.707  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.445  -0.513   0.610  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -1.683  -0.167   0.139  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -1.764   1.175  -0.104  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -2.695   1.812  -0.557  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -0.026  -1.617   0.909  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -0.472   1.751   0.258  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -0.038   3.058   0.201  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.265   3.306   0.629  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        2.089   2.255   1.094  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.742  -1.134  -0.112  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -3.094  -1.125  -1.598  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -2.253  -1.292  -2.481  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.403  -0.870  -1.924  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.607  -0.859  -2.914  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.349  -0.261  -1.142  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.406   0.133  -1.630  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.011  -0.050   0.313  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.955  -1.020   0.808  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        2.404  -0.127   1.644  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1        1.980  -1.042   1.454  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.861  -0.136   1.583  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.406  -0.247   0.157  0.00  0.00    +0.033 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.005  -1.552  -0.529  0.00  0.00    +0.079 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.636  -1.647  -1.843  0.00  0.00    -0.330 NA
ATOM     27  H   LIG    1        4.339  -2.511  -2.297  0.00  0.00    +0.118 HD
ATOM     28  H   LIG    1        5.647  -1.713  -1.740  0.00  0.00    +0.118 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6