REMARK  Name = BDB026662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.779   0.319  -0.116  0.00  0.00    +0.090 A 
ATOM      2  N   LIG    1        3.958  -0.032  -1.407  0.00  0.00    -0.245 NA
ATOM      3  C   LIG    1        2.971  -0.672  -2.056  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.732  -0.973  -1.458  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.765  -1.693  -2.207  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        1.013  -2.072  -3.525  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.228  -1.747  -4.111  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.568  -0.534  -0.126  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        3.191  -1.058  -3.371  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        2.600   0.101   0.562  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        5.146  -0.376   2.614  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1        5.499   0.688   1.705  0.00  0.00    -0.332 N 
ATOM     13  C   LIG    1        4.923   0.980   0.487  0.00  0.00    +0.087 A 
ATOM     14  C   LIG    1        5.723   1.992  -0.016  0.00  0.00    +0.140 A 
ATOM     15  N   LIG    1        6.699   2.357   0.874  0.00  0.00    -0.243 NA
ATOM     16  C   LIG    1        6.542   1.552   1.898  0.00  0.00    +0.199 A 
ENDBRANCH   1  13
BRANCH   8  17
ATOM     17  C   LIG    1        0.305  -0.712   0.625  0.00  0.00    +0.249 C 
ATOM     18  N   LIG    1       -0.787  -0.098   0.044  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -0.615   0.435  -0.801  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        0.353  -1.321   1.685  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -2.117  -0.098   0.511  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -3.055   0.636  -0.228  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -4.402   0.676   0.160  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -5.398   1.539  -0.563  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1       -6.802   0.969  -0.455  0.00  0.00    +0.101 C 
ATOM     26  C   LIG    1       -7.150   0.579   0.963  0.00  0.00    +0.218 C 
ATOM     27  N   LIG    1       -6.140   0.036   1.712  0.00  0.00    -0.285 N 
ATOM     28  H   LIG    1       -6.412  -0.342   2.610  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1       -8.296   0.648   1.401  0.00  0.00    -0.275 OA
ATOM     30  C   LIG    1       -4.804  -0.015   1.305  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1       -3.879  -0.733   2.057  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1       -2.540  -0.780   1.655  0.00  0.00    +0.025 A 
ENDBRANCH  18  21
ENDBRANCH   8  17
TORSDOF 3