REMARK  Name = BDB029431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.728  -0.426   0.004  0.00  0.00    +0.054 C 
ATOM      2  C   LIG    1       -3.652   0.217   1.388  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1       -2.401   1.092   1.490  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -1.250   0.536   0.782  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -0.096   1.318   0.748  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1       -0.007   2.415   1.295  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.280  -0.906   0.553  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -2.504  -1.315  -0.267  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.081   0.832  -0.004  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        2.318   0.772   0.653  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        3.411   0.345  -0.079  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        4.840   0.174   0.340  0.00  0.00    +0.133 C 
ATOM     13  C   LIG    1        5.498  -0.316  -0.955  0.00  0.00    +0.222 C 
ATOM     14  N   LIG    1        4.509  -0.383  -1.929  0.00  0.00    -0.285 N 
ATOM     15  H   LIG    1        4.697  -0.674  -2.877  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        6.674  -0.600  -1.114  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        3.279   0.006  -1.425  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        2.078   0.078  -2.100  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        0.963   0.507  -1.375  0.00  0.00    +0.015 A 
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  N   LIG    1       -4.958  -1.204  -0.146  0.00  0.00    -0.327 NA
ATOM     21  H   LIG    1       -5.768  -0.599  -0.010  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1       -5.027  -1.560  -1.099  0.00  0.00    +0.118 HD
ENDBRANCH   1  20
TORSDOF 2