REMARK  Name = BDB027956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.062  -1.690   0.432  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1       -1.061  -2.296   1.254  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        5.219   0.489   0.089  0.00  0.00    +0.150 C 
ATOM      4  N   LIG    1        3.835   0.835  -0.106  0.00  0.00    -0.333 N 
ATOM      5  C   LIG    1        2.757   0.014   0.109  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        1.661   0.804  -0.216  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1        0.363   0.270  -0.109  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        0.174  -1.042   0.344  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        1.320  -1.808   0.635  0.00  0.00    +0.025 A 
ATOM     10  N   LIG    1        2.057   2.057  -0.619  0.00  0.00    -0.236 NA
ATOM     11  C   LIG    1        2.627  -1.306   0.538  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.369   2.044  -0.539  0.00  0.00    +0.200 A 
ENDBRANCH   1   8
BRANCH   1  13
ATOM     13  C   LIG    1       -2.372  -1.035   0.279  0.00  0.00    +0.158 C 
ATOM     14  C   LIG    1       -2.576   0.156   1.226  0.00  0.00    +0.239 C 
ATOM     15  O   LIG    1       -2.238   0.144   2.409  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.250   1.234   0.705  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.387   2.009   1.340  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.065   1.233  -0.398  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -4.858   2.148  -0.599  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -4.018   0.004  -1.277  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -2.675  -0.701  -1.180  0.00  0.00    +0.041 C 
ENDBRANCH   1  13
TORSDOF 2