REMARK  Name = BDB007597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.583  -0.259  -1.877  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.406   0.980  -1.296  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.740   1.140  -0.354  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.008  -0.606  -2.902  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.409  -1.664   0.236  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.588  -0.748  -0.422  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.484  -1.202  -1.161  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -1.221  -2.573  -1.263  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.039  -3.487  -0.605  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.124  -3.030   0.144  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -4.514  -1.371   0.985  0.00  0.00    -0.487 OA
BRANCH  11  15
ATOM     12  C   LIG    1       -7.959  -0.835   1.485  0.00  0.00    +0.105 C 
ATOM     13  N   LIG    1       -7.217   0.396   1.769  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1       -5.887   0.090   2.331  0.00  0.00    +0.128 C 
ATOM     15  C   LIG    1       -4.896  -0.004   1.157  0.00  0.00    +0.189 C 
ATOM     16  C   LIG    1       -5.682   0.506  -0.050  0.00  0.00    +0.061 C 
ATOM     17  C   LIG    1       -6.927   1.145   0.541  0.00  0.00    +0.088 C 
ENDBRANCH  11  15
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1        0.504   1.951  -1.875  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.996   1.605  -1.693  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.760   2.499  -2.514  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        2.633   2.206  -3.435  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.417   1.756  -0.209  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.744   1.266   0.210  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.872  -0.195   0.102  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.237  -0.706   0.517  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.353   0.151   0.529  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.612  -0.351   0.885  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.769  -1.700   1.201  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.670  -2.555   1.170  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.179   1.618   0.224  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.411  -2.063   0.827  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.854   1.920  -0.492  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8