REMARK  Name = BDB007587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.610   2.479  -1.868  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.669   1.418  -1.258  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        1.585   0.854  -0.622  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        1.740   0.160   0.101  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.962   0.688  -1.137  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        5.151   1.412  -1.266  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        6.387   0.766  -1.161  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        6.445  -0.618  -0.936  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        5.253  -1.348  -0.823  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        4.017  -0.696  -0.926  0.00  0.00    +0.015 A 
BRANCH   8  11
ATOM     11  N   LIG    1        7.710  -1.253  -0.834  0.00  0.00    -0.220 N 
ATOM     12  N   LIG    1        8.872  -0.561  -0.934  0.00  0.00    -0.154 NA
ATOM     13  C   LIG    1        9.787  -1.518  -0.781  0.00  0.00    +0.245 A 
ATOM     14  N   LIG    1        9.297  -2.773  -0.587  0.00  0.00    -0.222 NA
ATOM     15  C   LIG    1        7.998  -2.581  -0.625  0.00  0.00    +0.225 A 
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1        0.314   1.556  -0.560  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.779   0.663   0.047  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.320   0.235   1.345  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.331   1.012   1.931  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.118   1.434   0.145  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.324   0.589   0.274  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.530   1.443   0.207  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.829   0.711   0.466  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.840  -0.522   1.137  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -7.059  -1.165   1.395  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -8.262  -0.573   1.012  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -8.256   0.659   0.363  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.541  -1.181   1.514  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -7.047   1.300   0.094  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.351  -0.208   1.510  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 7