REMARK  Name = BDB007574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.327   0.948  -0.450  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.214   0.453  -1.096  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.196  -0.540  -1.292  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.616   2.136  -0.401  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        0.369  -1.245   1.437  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1        1.795  -1.103   0.984  0.00  0.00    -0.038 A 
ATOM      7  C   LIG    1        2.235  -0.071   0.137  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        3.594   0.048  -0.202  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1        4.536  -0.864   0.277  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        4.084  -1.932   1.058  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        2.737  -2.046   1.418  0.00  0.00    +0.006 A 
BRANCH   9  12
ATOM     12  N   LIG    1        5.898  -0.817  -0.097  0.00  0.00    -0.337 N 
ATOM     13  H   LIG    1        6.483  -1.269   0.607  0.00  0.00    +0.147 HD
BRANCH  12  14
ATOM     14  C   LIG    1        6.558   0.325  -0.691  0.00  0.00    +0.122 C 
ATOM     15  C   LIG    1        7.004   1.377   0.336  0.00  0.00    +0.184 C 
ATOM     16  O   LIG    1        8.368   0.877   0.307  0.00  0.00    -0.376 OA
ATOM     17  C   LIG    1        8.066   0.103  -0.884  0.00  0.00    +0.184 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -0.629   1.309  -1.909  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.374   2.434  -1.168  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.276   3.083  -2.076  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.735   3.573  -2.718  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.124   2.036   0.132  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.412   1.307   0.053  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.279  -0.032  -0.536  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.479  -0.942  -0.353  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.497  -0.633   0.562  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.587  -1.501   0.717  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.652  -2.686  -0.016  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.635  -3.007  -0.912  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.440   0.662   1.325  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -4.554  -2.141  -1.080  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.015   1.219   1.395  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8