REMARK  Name = BDB008656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.017  -0.233  -1.234  0.00  0.00    -0.246 N 
ATOM      2  C   LIG    1        1.533  -1.479  -1.518  0.00  0.00    +0.159 A 
ATOM      3  C   LIG    1        0.392  -1.624  -0.745  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -0.313  -2.834  -0.838  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        0.193  -3.804  -1.705  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        1.350  -3.531  -2.425  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1        0.273  -0.395  -0.032  0.00  0.00    +0.092 A 
ATOM      8  N   LIG    1        2.063  -2.382  -2.369  0.00  0.00    -0.236 NA
ATOM      9  N   LIG    1        1.285   0.444  -0.321  0.00  0.00    -0.172 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.817  -0.036   0.953  0.00  0.00    +0.124 C 
ATOM     11  C   LIG    1       -0.486   1.126   1.893  0.00  0.00    +0.035 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.127   0.158   0.288  0.00  0.00    -0.288 N 
ATOM     13  C   LIG    1       -3.250  -0.394   0.924  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -3.154  -0.995   1.999  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -4.617  -0.253   0.218  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -5.125   1.080   0.386  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -6.546   1.141   0.561  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -7.278   0.084  -0.275  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -6.923  -1.293   0.112  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -6.926  -1.881  -0.721  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.593  -1.328   0.756  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -2.194   0.793  -1.013  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -1.381   1.991  -1.435  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -2.844   2.144  -1.188  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        3.204   0.376  -1.798  0.00  0.00    +0.147 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.480   0.018  -1.042  0.00  0.00    +0.042 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.508   0.605   0.368  0.00  0.00    +0.109 C 
BRANCH  27  29
ATOM     28  C   LIG    1        6.888   1.093   0.801  0.00  0.00    +0.400 C 
ATOM     29  N   LIG    1        5.771   0.348   1.023  0.00  0.00    -0.281 N 
ATOM     30  H   LIG    1        5.882  -0.451   1.632  0.00  0.00    +0.152 HD
ATOM     31  O   LIG    1        6.957   2.060   0.057  0.00  0.00    -0.226 OA
BRANCH  28  33
ATOM     32  C   LIG    1        9.139   1.295   1.372  0.00  0.00    +0.282 C 
ATOM     33  O   LIG    1        7.911   0.585   1.529  0.00  0.00    -0.454 OA
ENDBRANCH  28  33
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9