REMARK  Name = BDB057446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.858  -0.842  -0.600  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.731  -2.242  -0.673  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.580  -2.722  -0.789  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.784  -4.096  -0.856  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.277  -5.005  -0.820  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.579  -4.538  -0.721  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        1.645  -1.920  -0.840  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1        1.423  -0.595  -0.779  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1       -1.809  -3.166  -0.649  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.213  -0.030  -0.654  0.00  0.00    -0.216 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.147  -0.275  -0.431  0.00  0.00    -0.282 N 
ATOM     12  H   LIG    1       -2.597  -0.710   0.363  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -4.650   3.994  -0.424  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -3.735   2.860  -0.670  0.00  0.00    +0.035 A 
ATOM     15  N   LIG    1       -2.768   2.891  -1.635  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -2.548   3.642  -2.280  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1       -2.053   1.764  -1.716  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1       -2.534   0.983  -0.746  0.00  0.00    +0.146 A 
ATOM     19  C   LIG    1       -3.610   1.622  -0.079  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  C   LIG    1        2.617   0.325  -0.836  0.00  0.00    +0.111 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.173   0.675   0.526  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        2.612   1.720   1.273  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        3.115   2.038   2.535  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.180   1.311   3.065  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.738   0.262   2.336  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.235  -0.058   1.074  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4