REMARK  Name = BDB022737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.194  -1.328  -0.989  0.00  0.00    +0.101 A 
ATOM      2  C   LIG    1       -1.186  -0.112  -1.738  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1        0.148   0.078  -2.047  0.00  0.00    +0.122 A 
ATOM      4  N   LIG    1        0.829  -0.986  -1.539  0.00  0.00    -0.266 N 
ATOM      5  N   LIG    1        0.035  -1.864  -0.894  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.252   0.806  -2.111  0.00  0.00    +0.248 C 
ATOM      7  N   LIG    1       -3.493   0.238  -2.233  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1       -3.598  -0.757  -2.054  0.00  0.00    +0.149 HD
ATOM      9  O   LIG    1       -2.037   1.994  -2.333  0.00  0.00    -0.270 OA
BRANCH   7  10
ATOM     10  C   LIG    1       -4.679   1.005  -2.509  0.00  0.00    +0.140 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.521   1.118  -1.266  0.00  0.00    -0.029 A 
ATOM     12  C   LIG    1       -6.473   0.136  -0.958  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -7.214   0.227   0.220  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       -8.369  -0.992   0.594  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -7.021   1.291   1.099  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.072   2.269   0.802  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.320   2.178  -0.370  0.00  0.00    +0.005 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   2   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.340  -1.994  -0.287  0.00  0.00    +0.217 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -4.427  -3.059  -0.536  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1       -3.425  -2.282  -1.185  0.00  0.00    -0.377 OA
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   4  21
ATOM     21  C   LIG    1        2.253  -1.255  -1.682  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.050  -0.657  -0.550  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        3.113  -1.307   0.691  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.846  -0.760   1.745  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.530   0.452   1.582  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        4.458   1.107   0.345  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        3.724   0.560  -0.710  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.317   1.047   2.724  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        6.744   1.107   2.430  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        7.346   2.302   2.240  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        8.625   1.980   2.032  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        8.850   0.593   2.105  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        7.615   0.054   2.376  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 9