REMARK  Name = BDB007690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.697   0.637  -2.650  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1       -2.071  -1.615  -1.718  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1       -2.397  -0.512  -1.293  0.00  0.00    +0.244 C 
ATOM      4  N   LIG    1       -1.779   0.658  -1.683  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1       -2.199   1.549  -1.454  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1       -3.531  -0.382  -0.339  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -4.523  -1.368  -0.344  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -5.613  -1.288   0.540  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.715  -0.215   1.451  0.00  0.00    +0.071 A 
ATOM     10  N   LIG    1       -6.739  -0.095   2.312  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1       -7.697  -1.049   2.293  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -7.685  -2.138   1.442  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -4.709   0.743   1.451  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -6.625  -2.257   0.552  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -3.620   0.672   0.574  0.00  0.00    +0.015 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1        0.645   0.152  -2.065  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1        1.498  -0.205  -3.164  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        1.168  -1.062  -3.491  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        1.313   1.270  -1.225  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.384   0.819  -0.305  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        3.501   0.182  -1.034  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        4.732  -0.075  -0.185  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        4.919   0.574   1.046  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        6.076   0.330   1.797  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.059  -0.535   1.315  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.888  -1.165   0.085  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.843   1.482   1.581  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        5.733  -0.936  -0.663  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        2.888   1.957   0.480  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6