REMARK  Name = BDB045620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.787   1.060   0.425  0.00  0.00    +0.238 C 
ATOM      2  N   LIG    1       -2.804   0.189   0.815  0.00  0.00    -0.183 N 
ATOM      3  O   LIG    1       -1.972   1.965  -0.388  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   4
ATOM      4  O   LIG    1       -2.354  -1.050   1.335  0.00  0.00    -0.292 OA
ATOM      5  H   LIG    1       -2.583  -0.957   2.280  0.00  0.00    +0.242 HD
ENDBRANCH   2   4
BRANCH   1   6
ATOM      6  C   LIG    1       -0.461   0.881   1.152  0.00  0.00    +0.099 C 
BRANCH   6   7
ATOM      7  C   LIG    1        0.659   1.770   0.616  0.00  0.00    +0.025 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.099   1.523  -0.840  0.00  0.00    +0.084 C 
BRANCH   8   9
ATOM      9  N   LIG    1        1.652   0.219  -1.225  0.00  0.00    -0.305 NA
ATOM     10  C   LIG    1        0.632  -0.751  -1.611  0.00  0.00    +0.104 C 
BRANCH   9  11
ATOM     11  C   LIG    1        2.647  -0.360  -0.317  0.00  0.00    +0.084 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.915   0.497  -0.197  0.00  0.00    +0.015 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.555  -1.407   0.272  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        4.955  -0.097   0.759  0.00  0.00    -0.002 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  15
ATOM     15  C   LIG    1       -3.943  -0.005  -0.082  0.00  0.00    +0.151 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.138  -0.619   0.627  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -6.332  -0.645  -0.276  0.00  0.00    +0.306 C 
ATOM     18  O   LIG    1       -7.425  -0.164  -0.031  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -6.120  -1.316  -1.422  0.00  0.00    -0.481 OA
ATOM     20  H   LIG    1       -6.981  -1.275  -1.891  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 12