REMARK  Name = BDB006115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.580   0.118  -0.357  0.00  0.00    +0.055 A 
ATOM      2  N   LIG    1        3.431  -0.943  -0.063  0.00  0.00    -0.251 N 
ATOM      3  N   LIG    1        2.768  -2.059   0.363  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        1.494  -1.685   0.328  0.00  0.00    +0.154 A 
ATOM      5  C   LIG    1        0.208  -2.285   0.630  0.00  0.00    +0.272 C 
ATOM      6  N   LIG    1       -0.714  -1.221   0.357  0.00  0.00    -0.246 N 
ATOM      7  C   LIG    1       -0.048  -0.057  -0.114  0.00  0.00    +0.127 C 
ATOM      8  O   LIG    1        0.001  -3.438   0.966  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        1.331  -0.381  -0.108  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.706   1.240  -0.322  0.00  0.00    -0.012 A 
ATOM     11  C   LIG    1       -0.700   1.896  -1.568  0.00  0.00    -0.031 A 
ATOM     12  C   LIG    1       -0.037   1.253  -2.817  0.00  0.00    +0.030 C 
ATOM     13  C   LIG    1       -1.319   3.137  -1.725  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.944   3.734  -0.635  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -2.714   5.260  -0.824  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -1.958   3.105   0.609  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.339   1.863   0.768  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
BRANCH   6  18
ATOM     18  C   LIG    1       -2.116  -1.435   0.474  0.00  0.00    +0.075 A 
ATOM     19  C   LIG    1       -2.651  -2.107   1.584  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -1.846  -2.454   2.602  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -4.024  -2.327   1.694  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -4.680  -3.121   3.074  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -4.886  -1.880   0.693  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.371  -1.206  -0.414  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -2.995  -0.983  -0.522  0.00  0.00    +0.026 A 
ENDBRANCH   6  18
BRANCH   1  27
ATOM     26  C   LIG    1        2.559   2.674  -0.141  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        3.101   1.360  -0.757  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1        4.171   1.528  -1.859  0.00  0.00    +0.006 C 
ENDBRANCH   1  27
BRANCH   2  29
ATOM     29  C   LIG    1        4.907  -0.934  -0.086  0.00  0.00    +0.152 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.451  -0.948  -0.111  0.00  0.00    -0.008 C 
ATOM     31  C   LIG    1        7.747  -0.958  -0.126  0.00  0.00    -0.046 C 
ATOM     32  C   LIG    1        8.522  -0.120   0.900  0.00  0.00    +0.026 C 
ATOM     33  C   LIG    1        8.499  -1.806  -1.158  0.00  0.00    +0.026 C 
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 5