REMARK  Name = BDB021629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.456   1.633   2.161  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.768   1.763   0.971  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.170   2.298   0.092  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.009   2.292  -1.352  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -1.292   2.955  -1.746  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -2.316   1.984  -1.851  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -2.762   1.409  -0.697  0.00  0.00    +0.134 A 
ATOM      8  C   LIG    1       -4.041   0.844  -0.894  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1       -4.722   0.193   0.132  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -4.125   0.090   1.378  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1       -2.853   0.633   1.579  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -2.135   1.296   0.551  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -6.018  -0.363  -0.099  0.00  0.00    -0.061 C 
ATOM     14  C   LIG    1       -7.107  -0.833  -0.291  0.00  0.00    -0.060 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -8.401  -1.392  -0.520  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1       -9.552  -0.719  -0.133  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1      -10.807  -1.195  -0.321  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1      -10.912  -2.401  -0.922  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -9.823  -3.148  -1.344  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -8.545  -2.632  -1.137  0.00  0.00    +0.020 A 
ENDBRANCH  14  15
ENDBRANCH   9  13
BRANCH   3  21
ATOM     21  C   LIG    1        1.514   2.617   0.615  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.410   1.363   0.765  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.081   0.657   1.968  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        1.150   0.867   2.200  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        3.902   1.786   0.805  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.947   0.748   0.729  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        4.952   0.029  -0.552  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        6.020  -1.044  -0.629  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        6.578  -1.588   0.542  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        7.540  -2.603   0.450  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.927  -3.094  -0.796  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.363  -2.572  -1.958  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.188  -1.032   1.890  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        6.411  -1.555  -1.876  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        4.891  -0.212   1.839  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7