REMARK  Name = BDB020929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.300  -2.101  -0.465  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.482  -1.557   0.011  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        2.713  -2.349  -0.036  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        3.937  -1.522  -0.475  0.00  0.00    +0.125 C 
ATOM      5  N   LIG    1        4.058  -0.247   0.261  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1        2.982   0.069   1.213  0.00  0.00    +0.125 C 
ATOM      7  C   LIG    1        1.607  -0.206   0.576  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1        0.240  -3.243  -0.920  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.334   0.172   0.628  0.00  0.00    +0.121 A 
ATOM     10  N   LIG    1        5.511   0.743   1.841  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1        6.752   1.167   2.191  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1        7.862   1.062   1.374  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        7.684   0.492   0.121  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        6.412   0.049  -0.253  0.00  0.00    +0.045 A 
BRANCH  12  15
ATOM     15  C   LIG    1        9.137   1.533   1.810  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1       10.174   1.914   2.164  0.00  0.00    -0.191 NA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  17
ATOM     17  C   LIG    1       -0.926  -1.206  -0.415  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.162  -1.906  -0.971  0.00  0.00    +0.083 C 
BRANCH  18  27
ATOM     19  C   LIG    1       -7.788   1.875   1.906  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.928   1.543   0.722  0.00  0.00    -0.048 A 
ATOM     21  C   LIG    1       -5.890   0.605   0.843  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -5.060   0.306  -0.240  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1       -5.278   0.968  -1.450  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -4.389   0.634  -2.575  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1       -3.427  -0.307  -2.309  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -2.829  -0.551  -3.086  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -3.289  -0.914  -1.091  0.00  0.00    +0.111 A 
ATOM     28  O   LIG    1       -4.498   1.159  -3.676  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.296   1.915  -1.590  0.00  0.00    +0.015 A 
ATOM     30  N   LIG    1       -4.038  -0.645  -0.071  0.00  0.00    -0.234 NA
ATOM     31  C   LIG    1       -7.116   2.204  -0.499  0.00  0.00    +0.004 A 
ENDBRANCH  18  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5