REMARK  Name = BDB034689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.139   1.082   1.311  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -0.264   1.006   1.321  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.958   1.624   0.299  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.336   1.707   0.055  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.550   2.458  -1.124  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.270   2.823  -1.592  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -1.004   3.594  -2.772  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.625   2.723  -1.636  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.301   2.311  -0.722  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        1.071   2.405  -0.765  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.789   1.778   0.262  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.857   0.412   2.325  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        1.339   0.348   3.201  0.00  0.00    +0.152 HD
BRANCH  12  19
ATOM     14  C   LIG    1        4.992  -1.202   1.173  0.00  0.00    +0.129 A 
ATOM     15  N   LIG    1        5.737  -1.275   2.297  0.00  0.00    -0.229 NA
ATOM     16  C   LIG    1        5.179  -0.802   3.430  0.00  0.00    +0.149 A 
ATOM     17 CL   LIG    1        6.226  -0.946   4.790  0.00  0.00    -0.061 Cl
ATOM     18  C   LIG    1        3.908  -0.248   3.508  0.00  0.00    +0.110 A 
ATOM     19  C   LIG    1        3.141  -0.177   2.329  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        3.710  -0.664   1.144  0.00  0.00    +0.057 A 
BRANCH  14  24
ATOM     21  C   LIG    1        5.973  -1.490  -2.479  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        5.326  -1.094  -1.252  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        4.947  -0.158  -1.207  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        5.614  -1.762  -0.071  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        6.341  -2.746  -0.019  0.00  0.00    -0.269 OA
ENDBRANCH  14  24
BRANCH  18  26
ATOM     26  C   LIG    1        3.395   0.239   4.749  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1        2.920   0.637   5.730  0.00  0.00    -0.191 NA
ENDBRANCH  18  26
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1       -3.378   1.140   0.870  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.564  -0.371   0.700  0.00  0.00    +0.036 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.085  -0.794  -0.686  0.00  0.00    +0.096 C 
ATOM     31  C   LIG    1       -2.967  -1.105  -1.678  0.00  0.00    +0.019 C 
BRANCH  30  32
ATOM     32  C   LIG    1       -4.939  -2.043  -0.548  0.00  0.00    +0.310 C 
ATOM     33  O   LIG    1       -4.716  -2.954   0.240  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -5.966  -2.015  -1.442  0.00  0.00    -0.468 OA
ATOM     35  C   LIG    1       -6.811  -3.165  -1.394  0.00  0.00    +0.280 C 
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 9