REMARK  Name = BDB034359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.680  -0.907   1.027  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        4.010   0.445   0.929  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        3.168   1.353   0.303  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.927   0.912  -0.222  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.078   1.883  -0.835  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        1.570   3.184  -0.965  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        2.799   3.502  -0.420  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        1.607  -0.465  -0.102  0.00  0.00    +0.015 A 
ATOM      9  N   LIG    1        3.587   2.622   0.221  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        2.470  -1.363   0.526  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1       -0.152   1.501  -1.395  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -0.555   0.692  -0.936  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -1.173   2.464  -1.806  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.859   3.152  -0.625  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.565   2.215   0.361  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.663   1.481  -0.268  0.00  0.00    -0.312 NA
ATOM     17  H   LIG    1       -3.302   0.850  -0.982  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -4.380   0.667   0.720  0.00  0.00    +0.120 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.468  -0.136   0.062  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -5.413  -1.517  -0.033  0.00  0.00    +0.171 A 
ATOM     21  O   LIG    1       -4.412  -2.317   0.430  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1       -4.903  -3.621   0.059  0.00  0.00    +0.466 C 
ATOM     23  O   LIG    1       -6.170  -3.583  -0.626  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1       -6.415  -2.245  -0.638  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1       -7.528  -1.645  -1.186  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -7.616  -0.254  -1.113  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.596   0.493  -0.496  0.00  0.00    +0.009 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  28
ATOM     28  O   LIG    1        4.479  -1.826   1.667  0.00  0.00    -0.456 OA
BRANCH  28  33
ATOM     29 CL   LIG    1       10.243  -2.006   0.521  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        8.553  -1.944   0.836  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        7.654  -1.857  -0.227  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        6.281  -1.810   0.027  0.00  0.00    +0.048 A 
ATOM     33  C   LIG    1        5.818  -1.833   1.346  0.00  0.00    +0.129 A 
ATOM     34  C   LIG    1        6.720  -1.941   2.406  0.00  0.00    +0.048 A 
ATOM     35  C   LIG    1        8.092  -1.990   2.151  0.00  0.00    +0.023 A 
ENDBRANCH  28  33
ENDBRANCH   1  28
TORSDOF 9