REMARK  Name = BDB051029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.968  -0.456   0.172  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.964   0.349  -0.428  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -1.145   1.848  -0.501  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        0.200  -0.260  -0.971  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.320  -1.663  -0.983  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.700  -2.407  -0.411  0.00  0.00    +0.137 A 
ATOM      7  O   LIG    1       -0.424  -3.738  -0.490  0.00  0.00    -0.463 OA
ATOM      8  C   LIG    1        0.775  -3.856  -1.118  0.00  0.00    +0.196 A 
ATOM      9  C   LIG    1        1.276  -2.616  -1.435  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -1.837  -1.858   0.175  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.324   0.523  -1.530  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1        1.887   1.428  -0.661  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        1.600   1.427   0.312  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        1.727   0.309  -2.666  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        3.103   2.144  -0.974  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.278   1.376  -0.442  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.447   1.450   1.047  0.00  0.00    +0.254 A 
ATOM     18  O   LIG    1        3.650   2.051   1.764  0.00  0.00    -0.268 OA
ATOM     19  N   LIG    1        5.531   0.801   1.579  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        5.624   0.863   2.585  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        6.442   0.082   0.846  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        7.557  -0.576   1.596  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1        6.288   0.002  -0.484  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        5.182   0.669  -1.158  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        5.161   0.480  -2.650  0.00  0.00    +0.044 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   4  11
BRANCH   1  26
ATOM     26  N   LIG    1       -3.089   0.167   0.774  0.00  0.00    -0.327 N 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.436  -0.362   0.420  0.00  0.00    +0.078 C 
ATOM     28  C   LIG    1       -5.556   0.498   1.032  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1       -6.923   0.029   0.554  0.00  0.00    +0.161 C 
ATOM     30  O   LIG    1       -7.004   0.060  -0.866  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1       -6.044  -0.797  -1.475  0.00  0.00    +0.161 C 
ATOM     32  C   LIG    1       -4.630  -0.375  -1.111  0.00  0.00    +0.050 C 
ENDBRANCH  26  27
BRANCH  26  34
ATOM     33  C   LIG    1       -2.933  -0.605   3.165  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1       -2.811   0.548   2.177  0.00  0.00    +0.102 C 
ENDBRANCH  26  34
ENDBRANCH   1  26
TORSDOF 6