REMARK  Name = BDB031291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.576   0.867   0.086  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1       -0.689   2.244   0.258  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.613   2.720   0.156  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        0.869   4.096   0.265  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -0.204   4.972   0.458  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.508   4.487   0.529  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        1.495   1.703  -0.058  0.00  0.00    -0.229 NA
ATOM      8  C   LIG    1       -1.779   3.118   0.421  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        0.785   0.585  -0.064  0.00  0.00    +0.149 A 
ENDROOT
BRANCH   1  18
ATOM     10  O   LIG    1       -4.986  -4.399  -1.810  0.00  0.00    -0.247 OA
ATOM     11  C   LIG    1       -4.388  -3.467  -1.304  0.00  0.00    +0.325 A 
ATOM     12  N   LIG    1       -3.188  -2.898  -1.757  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1       -2.691  -3.221  -2.570  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1       -2.836  -1.860  -0.901  0.00  0.00    +0.069 A 
ATOM     15  C   LIG    1       -3.815  -1.768   0.086  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1       -3.763  -0.826   1.084  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -2.670   0.049   1.067  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -1.667  -0.047   0.064  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -1.749  -1.018  -0.946  0.00  0.00    +0.054 A 
ATOM     20  N   LIG    1       -4.764  -2.753  -0.158  0.00  0.00    -0.306 N 
ATOM     21  H   LIG    1       -5.595  -2.949   0.376  0.00  0.00    +0.170 HD
ENDBRANCH   1  18
BRANCH   9  22
ATOM     22  C   LIG    1        1.361  -0.809  -0.115  0.00  0.00    +0.211 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.882  -0.893  -0.094  0.00  0.00    -0.012 A 
ATOM     24  C   LIG    1        3.631  -0.321   0.949  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        5.022  -0.440   0.978  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.683  -1.137  -0.031  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.955  -1.714  -1.069  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.564  -1.595  -1.101  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  29
ATOM     29  O   LIG    1        0.840  -1.536   1.001  0.00  0.00    -0.379 OA
ATOM     30  H   LIG    1        1.588  -1.985   1.430  0.00  0.00    +0.211 HD
ENDBRANCH  22  29
ENDBRANCH   9  22
TORSDOF 4