REMARK  Name = BDB055878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.852   0.056  -0.047  0.00  0.00    +0.206 C 
ATOM      2  C   LIG    1        1.108   1.422  -0.154  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1        1.690   2.483   0.070  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.272   1.360  -0.433  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.743   0.180  -1.182  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1       -0.080  -1.156  -0.724  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1        1.347  -1.026  -0.823  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.253   0.030  -1.356  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -2.769  -0.248  -2.635  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -4.143  -0.412  -2.837  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -5.017  -0.304  -1.760  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -6.707  -0.505  -2.005  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.528  -0.034  -0.485  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.154   0.130  -0.286  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -0.452  -1.803   0.605  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -0.506  -3.208   0.675  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -0.822  -3.853   1.872  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -0.889  -5.572   1.923  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -1.079  -3.118   3.024  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -1.011  -1.727   2.979  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -0.696  -1.077   1.782  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        3.337   0.237  -0.404  0.00  0.00    +0.056 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.142  -1.043  -0.161  0.00  0.00    +0.083 C 
BRANCH  23  25
ATOM     24  C   LIG    1        6.350  -2.002  -0.227  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1        5.559  -0.797  -0.440  0.00  0.00    -0.319 NA
ATOM     26  H   LIG    1        5.667  -0.489  -1.406  0.00  0.00    +0.122 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -0.934   2.649  -0.651  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.429   3.208   0.652  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -1.862   4.651   0.728  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -0.616   4.205   1.439  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7