REMARK  Name = BDB026331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.097   0.843   1.514  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.114   0.050   0.276  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.558   0.122  -0.267  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.508  -0.451   0.717  0.00  0.00    -0.325 N 
ATOM      5  C   LIG    1        2.122  -0.267   2.132  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.144   0.915   2.320  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.847  -0.222   0.357  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        4.541  -1.045  -0.555  0.00  0.00    +0.151 A 
ATOM      9 CL   LIG    1        3.820  -2.451  -1.251  0.00  0.00    -0.060 Cl
ATOM     10  N   LIG    1        5.818  -0.871  -0.967  0.00  0.00    -0.229 NA
ATOM     11  C   LIG    1        6.465   0.198  -0.441  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1        5.892   1.085   0.459  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.571   0.869   0.855  0.00  0.00    +0.028 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.880   0.403  -0.891  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.347  -0.565  -1.754  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.667  -1.257  -2.064  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.633  -0.479  -2.389  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.537   1.366  -0.512  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.224   0.324   2.302  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.999  -0.044  -0.694  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.554  -1.438  -0.360  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -7.234  -2.420  -0.636  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -5.345  -1.573   0.273  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -5.061  -2.519   0.486  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.537  -0.484   0.623  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -4.953   0.812   0.327  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -4.239   1.916   0.629  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -3.055   1.710   1.253  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.550   0.454   1.595  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.320  -0.669   1.268  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -6.231   1.005  -0.348  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -8.252  -0.208  -2.866  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.329   0.109  -1.379  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5