REMARK  Name = BDB060346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.034   1.246   0.583  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.842   0.890  -0.755  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.365   0.306  -1.152  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        1.379   0.086  -0.210  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.191   0.478   1.124  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.014   1.062   1.520  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.685  -0.520  -0.596  0.00  0.00    +0.092 A 
ATOM      8  N   LIG    1        3.772  -0.063  -0.049  0.00  0.00    -0.166 NA
ATOM      9  N   LIG    1        4.922  -0.680  -0.467  0.00  0.00    -0.226 N 
ATOM     10  C   LIG    1        4.997  -1.717  -1.379  0.00  0.00    +0.085 A 
ATOM     11  C   LIG    1        6.322  -2.056  -1.528  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        7.073  -1.208  -0.691  0.00  0.00    +0.055 A 
ATOM     13 CL   LIG    1        6.983  -3.265  -2.521  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1        3.791  -2.198  -1.938  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        6.195  -0.353  -0.037  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        2.631  -1.639  -1.579  0.00  0.00    +0.032 A 
BRANCH  15  17
ATOM     17  C   LIG    1        6.559   0.677   0.907  0.00  0.00    +0.260 C 
ATOM     18  O   LIG    1        7.715   0.908   1.251  0.00  0.00    -0.269 OA
ATOM     19  N   LIG    1        5.546   1.425   1.423  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        5.774   2.192   2.037  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        4.591   1.293   1.103  0.00  0.00    +0.145 HD
ENDBRANCH  15  17
ENDBRANCH   4   7
BRANCH   1  25
ATOM     22  C   LIG    1       -5.121  -0.512   0.652  0.00  0.00    +0.137 C 
ATOM     23  C   LIG    1       -3.607  -0.255   0.630  0.00  0.00    +0.139 C 
ATOM     24  N   LIG    1       -3.456   1.165   0.939  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1       -2.289   1.895   1.013  0.00  0.00    +0.247 C 
ATOM     26  O   LIG    1       -2.228   3.046   1.434  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1       -4.726   1.748   1.327  0.00  0.00    +0.111 C 
ATOM     28  C   LIG    1       -5.624   0.555   1.624  0.00  0.00    +0.052 C 
BRANCH  22  30
ATOM     29  C   LIG    1       -6.951  -0.841  -0.834  0.00  0.00    +0.194 C 
ATOM     30  O   LIG    1       -5.644  -0.306  -0.665  0.00  0.00    -0.378 OA
ENDBRANCH  22  30
ENDBRANCH   1  25
TORSDOF 4