REMARK  Name = BDB012710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.493   0.314   0.045  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -0.043   1.444   0.734  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.417   1.479   0.470  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.256   2.470   1.007  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.679   3.444   1.828  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -0.316   3.426   2.102  0.00  0.00    +0.042 A 
ATOM      7 CL   LIG    1        0.363   4.640   3.118  0.00  0.00    -0.084 Cl
ATOM      8  N   LIG    1       -1.688   0.411  -0.361  0.00  0.00    -0.345 N 
ATOM      9  C   LIG    1        0.514   2.438   1.567  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -0.538  -0.285  -0.636  0.00  0.00    +0.110 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.804  -0.025   0.036  0.00  0.00    -0.311 N 
ATOM     12  H   LIG    1        2.476   0.678   0.361  0.00  0.00    +0.152 HD
BRANCH  11  14
ATOM     13  C   LIG    1        3.850  -1.225  -0.640  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1        2.482  -1.218  -0.302  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        1.843  -2.454  -0.387  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        2.424  -3.620  -0.770  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1        3.727  -3.571  -1.097  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.475  -2.413  -1.048  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1        5.823   0.066  -1.114  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        4.720  -0.022  -0.606  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.210   1.004   0.104  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        4.914   1.688   0.041  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1       -2.996   0.062  -0.897  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.772  -0.829   0.059  0.00  0.00    +0.135 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.127  -1.141  -0.517  0.00  0.00    +0.392 C 
ATOM     26  F   LIG    1       -5.018  -1.776  -1.702  0.00  0.00    -0.171 F 
ATOM     27  F   LIG    1       -5.841  -0.013  -0.714  0.00  0.00    -0.171 F 
ATOM     28  F   LIG    1       -5.831  -1.935   0.316  0.00  0.00    -0.171 F 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7