REMARK  Name = BDB060361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.037  -0.173  -0.226  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        2.763  -1.296  -0.347  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        4.135  -1.292   0.009  0.00  0.00    +0.085 A 
ATOM      4  N   LIG    1        4.691  -0.113   0.473  0.00  0.00    -0.226 N 
ATOM      5  C   LIG    1        6.027  -0.317   0.766  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        6.303  -1.647   0.477  0.00  0.00    +0.055 A 
ATOM      7  N   LIG    1        4.029   1.079   0.615  0.00  0.00    -0.174 NA
ATOM      8  C   LIG    1        5.122  -2.251   0.005  0.00  0.00    +0.069 A 
ATOM      9 CL   LIG    1        4.992  -3.877  -0.470  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        2.777   1.020   0.275  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.259   0.714  -0.300  0.00  0.00    +0.096 C 
ATOM     12  C   LIG    1       -1.814   0.259  -0.546  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -1.402  -0.485  -1.641  0.00  0.00    -0.034 A 
ATOM     14  C   LIG    1       -0.000  -0.745  -1.629  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.655  -0.137  -0.571  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -2.374  -0.921  -2.692  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1       -3.650  -0.069  -2.610  0.00  0.00    +0.086 C 
ATOM     18  S   LIG    1       -0.470   0.757   0.374  0.00  0.00    -0.091 S 
ATOM     19  N   LIG    1       -4.171  -0.015  -1.236  0.00  0.00    -0.308 NA
ATOM     20  H   LIG    1       -4.276  -0.970  -0.897  0.00  0.00    +0.123 HD
BRANCH  11  22
ATOM     21  C   LIG    1       -3.148   1.565   2.152  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -3.817   0.572   1.174  0.00  0.00    -0.018 C 
ATOM     23  C   LIG    1       -5.330   0.928   1.194  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -3.662  -0.856   1.737  0.00  0.00    +0.012 C 
ENDBRANCH  11  22
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1        6.969   0.652   1.274  0.00  0.00    +0.260 C 
ATOM     26  O   LIG    1        8.147   0.399   1.510  0.00  0.00    -0.269 OA
ATOM     27  N   LIG    1        6.499   1.910   1.496  0.00  0.00    -0.324 N 
ATOM     28  H   LIG    1        7.133   2.610   1.851  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        5.529   2.146   1.308  0.00  0.00    +0.145 HD
ENDBRANCH   5  25
TORSDOF 3