REMARK  Name = BDB007107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.120   0.797   0.146  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.833   1.775  -0.565  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        2.058   1.437  -1.172  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        2.997   2.168  -1.948  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        4.022   1.314  -2.280  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        3.751   0.089  -1.720  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        2.545   0.133  -1.045  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.849  -0.852  -0.324  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.634  -0.497   0.273  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -2.111   0.190   0.909  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -1.983  -0.647   0.358  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -1.171   1.192   0.774  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -1.359   2.355   1.113  0.00  0.00    -0.270 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -3.478   0.487   1.320  0.00  0.00    +0.103 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.340   0.637   0.075  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1       -4.592   1.924  -0.429  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -5.358   2.105  -1.582  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.875   1.001  -2.255  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.620  -0.283  -1.780  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.852  -0.466  -0.627  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
BRANCH  14  22
ATOM     21  C   LIG    1       -5.320  -0.269   2.923  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -3.957  -0.583   2.320  0.00  0.00    +0.024 C 
ENDBRANCH  14  22
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1        4.605  -1.086  -1.871  0.00  0.00    +0.158 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.307  -1.468  -0.596  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        5.349  -2.802  -0.195  0.00  0.00    +0.117 A 
ATOM     26  N   LIG    1        5.972  -3.245   0.919  0.00  0.00    -0.243 NA
ATOM     27  C   LIG    1        6.592  -2.313   1.669  0.00  0.00    +0.129 A 
ATOM     28 CL   LIG    1        7.366  -2.921   3.073  0.00  0.00    -0.062 Cl
ATOM     29  C   LIG    1        6.632  -0.965   1.362  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        5.983  -0.540   0.206  0.00  0.00    +0.010 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 6