REMARK  Name = BDB037031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.176   0.324   3.023  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.207  -0.703   2.170  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.220  -0.728   1.114  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -1.157  -1.963   0.529  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -0.151  -2.718   1.066  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        0.229  -3.825   0.738  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -1.925   0.219   0.817  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        0.441  -1.926   2.141  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        1.487  -2.226   2.988  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.874  -1.234   3.889  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        1.226   0.022   3.905  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.867  -2.341  -0.681  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -1.270  -1.593  -1.880  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -0.149  -1.083  -1.889  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -2.058  -1.567  -3.009  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -1.665  -1.103  -3.817  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -3.370  -1.955  -3.129  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -3.968  -1.826  -4.193  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.005  -2.599  -1.918  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.373  -2.106  -0.624  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -0.466   1.569   3.022  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1       -1.213   1.593   2.318  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.391   2.757   2.841  0.00  0.00    +0.160 C 
BRANCH  23  27
ATOM     24  N   LIG    1        1.534   3.080  -0.604  0.00  0.00    -0.250 N 
ATOM     25  N   LIG    1        1.466   4.364  -0.203  0.00  0.00    -0.065 NA
ATOM     26  N   LIG    1        1.072   4.369   1.063  0.00  0.00    -0.133 NA
ATOM     27  C   LIG    1        0.866   3.069   1.456  0.00  0.00    +0.100 A 
ATOM     28  C   LIG    1        1.159   2.236   0.397  0.00  0.00    +0.135 A 
BRANCH  24  29
ATOM     29  C   LIG    1        1.832   2.771  -1.983  0.00  0.00    +0.160 C 
BRANCH  29  30
ATOM     30  C   LIG    1        2.685   1.516  -2.214  0.00  0.00    +0.101 C 
BRANCH  30  31
ATOM     31  N   LIG    1        4.035   1.606  -1.658  0.00  0.00    -0.328 NA
ATOM     32  H   LIG    1        4.569   0.778  -1.923  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1        4.531   2.406  -2.049  0.00  0.00    +0.118 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7