REMARK  Name = BDB051970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.839  -0.385   0.551  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.332  -0.889   1.268  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.085   0.457  -0.242  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        0.525   1.283  -1.033  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.357   0.340  -0.012  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1       -2.156  -0.796   0.323  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.480  -0.354   0.467  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -4.509  -1.249   0.827  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -4.199  -2.597   1.019  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.903  -3.058   0.849  0.00  0.00    +0.001 A 
ATOM     11  N   LIG    1       -3.518   1.016   0.180  0.00  0.00    -0.287 N 
ATOM     12  C   LIG    1       -4.663   1.846   0.194  0.00  0.00    +0.229 C 
ATOM     13  O   LIG    1       -5.761   1.395   0.496  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1       -4.428   3.281  -0.177  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1       -1.880  -2.174   0.497  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -2.227   1.408  -0.125  0.00  0.00    +0.108 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     17  C   LIG    1        4.483  -0.145  -0.295  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1        3.099   0.071  -0.361  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        2.240  -0.547   0.554  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.779  -1.393   1.531  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        4.155  -1.614   1.602  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.005  -0.991   0.691  0.00  0.00    +0.011 A 
BRANCH  17  24
ATOM     23  C   LIG    1        4.899   1.445  -2.295  0.00  0.00    +0.091 C 
ATOM     24  C   LIG    1        5.434   0.499  -1.251  0.00  0.00    +0.160 C 
ATOM     25  O   LIG    1        6.636   0.250  -1.177  0.00  0.00    -0.292 OA
ENDBRANCH  17  24
ENDBRANCH   1  19
TORSDOF 3