REMARK  Name = BDB036840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.448  -1.927  -0.438  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.180  -0.660  -0.074  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.436   0.582  -0.216  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.164   1.652  -0.204  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.636  -0.695   0.137  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -2.401  -0.208  -1.106  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.001  -0.377  -2.258  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.644   0.335  -0.874  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.152   0.637  -1.692  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.323   0.408   0.316  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.488   0.795   0.355  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.603  -0.101   1.544  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.096   0.037   1.401  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        1.898   0.639  -0.385  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        2.760   0.374   0.685  0.00  0.00    +0.064 A 
ATOM     16  C   LIG    1        4.144   0.468   0.483  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        4.649   0.835  -0.768  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.779   1.117  -1.823  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.401   1.026  -1.633  0.00  0.00    +0.014 A 
BRANCH  15  20
ATOM     20  C   LIG    1        2.258   0.007   1.977  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1        1.863  -0.319   3.018  0.00  0.00    -0.191 NA
ENDBRANCH  15  20
ENDBRANCH   3  14
TORSDOF 3