REMARK  Name = BDB021523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.074  -2.744  -1.305  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -1.850  -1.313  -1.075  0.00  0.00    -0.331 N 
ATOM      3  C   LIG    1       -2.327  -0.755   0.108  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -1.693   0.238   0.885  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1       -2.294   0.698   2.081  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.526   0.221   2.516  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -4.202  -0.730   1.761  0.00  0.00    -0.032 A 
ATOM      8  C   LIG    1       -0.368   0.875   0.622  0.00  0.00    +0.249 C 
ATOM      9  O   LIG    1        0.352   1.143   1.585  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1       -0.002   1.234  -0.667  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1       -0.764   0.816  -1.834  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -3.587  -1.204   0.587  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.820  -0.704  -1.917  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -5.556  -1.248   2.198  0.00  0.00    +0.119 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -6.733  -0.541   1.687  0.00  0.00    -0.294 NA
ATOM     16  C   LIG    1       -6.887   0.835   2.182  0.00  0.00    +0.113 C 
ATOM     17  C   LIG    1       -7.960   1.592   1.383  0.00  0.00    +0.175 C 
ATOM     18  O   LIG    1       -7.623   1.742  -0.004  0.00  0.00    -0.377 OA
ATOM     19  C   LIG    1       -6.754   0.708  -0.489  0.00  0.00    +0.175 C 
ATOM     20  C   LIG    1       -6.953  -0.632   0.236  0.00  0.00    +0.113 C 
ENDBRANCH  14  15
ENDBRANCH   7  14
BRANCH  10  21
ATOM     21  C   LIG    1        1.181   2.080  -0.870  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.493   1.326  -1.181  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.321   0.555  -2.381  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        2.136  -0.356  -2.100  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        2.987   0.456   0.006  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.368  -0.069  -0.042  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        5.372   0.989   0.162  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        6.801   0.488   0.103  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        7.113  -0.737  -0.513  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        8.446  -1.163  -0.582  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        9.467  -0.366  -0.066  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.165   0.857   0.528  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.006  -1.617  -1.036  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        7.839   1.284   0.610  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        4.689  -0.853  -1.236  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 7