REMARK  Name = BDB051306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.599   1.469   0.869  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.733   1.164   0.057  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -4.540   0.345   0.432  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -4.515  -0.207   1.713  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -3.433  -0.972   2.135  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -2.375  -1.151   1.239  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.349  -0.614  -0.055  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -1.080  -1.001  -0.629  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1       -0.419  -1.759   0.321  0.00  0.00    +0.087 A 
ATOM     10  N   LIG    1       -1.202  -1.842   1.431  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1       -0.954  -2.325   2.284  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -3.474   0.149  -0.489  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -3.581   0.817  -1.842  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -5.034   0.945  -2.280  0.00  0.00    +0.109 C 
ATOM     15  N   LIG    1       -5.830   1.565  -1.253  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -6.716   1.996  -1.487  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  17
ATOM     17  C   LIG    1       -0.498  -0.676  -1.974  0.00  0.00    +0.052 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.099   0.740  -2.073  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.132   1.079  -1.085  0.00  0.00    -0.312 NA
ATOM     20  H   LIG    1        0.783   0.831  -0.157  0.00  0.00    +0.122 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.384   0.344  -1.303  0.00  0.00    +0.118 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.409   0.675  -0.237  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1        3.994  -0.339   0.537  0.00  0.00    +0.075 A 
ATOM     24  C   LIG    1        4.958   0.037   1.503  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.550  -0.965   2.284  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        5.192  -2.293   2.099  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        4.247  -2.575   1.136  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        5.317   1.383   1.677  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        4.732   2.374   0.899  0.00  0.00    +0.001 A 
ATOM     30  N   LIG    1        3.651  -1.636   0.368  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        3.786   2.022  -0.055  0.00  0.00    +0.007 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 5