REMARK  Name = BDB064521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.071  -1.472  -0.281  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        3.087  -0.568   0.084  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        3.026   0.652   0.754  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        4.220   1.188   0.795  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1        5.031   0.253   0.203  0.00  0.00    +0.184 A 
ATOM      6  N   LIG    1        4.388  -0.844  -0.213  0.00  0.00    -0.141 NA
ATOM      7  O   LIG    1        2.395  -2.603  -0.649  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.163  -0.663  -0.156  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -1.276   0.224  -0.786  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.103  -0.025  -0.834  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        0.623  -1.174  -0.240  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -0.239  -2.095   0.354  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -1.612  -1.834   0.395  0.00  0.00    +0.024 A 
BRANCH   8  18
ATOM     14  C   LIG    1       -7.702   0.463   0.388  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1       -6.246   0.590   0.417  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -5.648  -0.472   1.255  0.00  0.00    +0.103 C 
ATOM     17  C   LIG    1       -4.101  -0.417   1.281  0.00  0.00    +0.120 C 
ATOM     18  N   LIG    1       -3.549  -0.458  -0.096  0.00  0.00    -0.327 N 
ATOM     19  C   LIG    1       -4.144   0.582  -0.964  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -5.687   0.491  -0.949  0.00  0.00    +0.103 C 
ENDBRANCH   8  18
ENDBRANCH   1  11
BRANCH   5  21
ATOM     21  C   LIG    1        6.468   0.452   0.060  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        7.275  -0.527  -0.526  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        8.633  -0.286  -0.635  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        9.231   0.847  -0.207  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1        8.434   1.779   0.355  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        7.066   1.631   0.510  0.00  0.00    +0.031 A 
ENDBRANCH   5  21
BRANCH   3  27
ATOM     27  N   LIG    1        1.928   1.205   1.314  0.00  0.00    -0.327 N 
ATOM     28  H   LIG    1        2.124   2.000   1.919  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        1.198   0.617   1.708  0.00  0.00    +0.145 HD
ENDBRANCH   3  27
TORSDOF 4