REMARK  Name = BDB028099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.625   2.742  -0.932  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -1.533   1.711  -1.224  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -2.390   1.304  -0.218  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.417   0.256  -0.244  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.047   0.280   0.993  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.404   1.207   1.917  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.648  -0.483  -1.181  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.381   1.870   1.055  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.491   2.883   1.362  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.610   3.315   0.362  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.946  -0.785   1.418  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.224  -1.871   2.234  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -3.005  -1.949   2.367  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.049  -2.782   2.854  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.564  -3.478   3.404  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.330  -2.526   3.273  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.844  -3.181   4.175  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.064  -1.415   2.560  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.127  -0.262   2.231  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.348   3.210  -1.988  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1        2.380   0.477  -3.308  0.00  0.00    -0.299 N 
ATOM     22  H   LIG    1        2.341  -0.091  -4.147  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1        1.413   1.429  -3.284  0.00  0.00    +0.300 C 
ATOM     24  N   LIG    1        1.395   2.234  -2.188  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        1.857   1.894  -1.361  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1        0.638   1.533  -4.227  0.00  0.00    -0.253 OA
BRANCH  21  27
ATOM     27  C   LIG    1        3.417   0.214  -2.330  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.353  -0.899  -2.794  0.00  0.00    +0.019 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.532  -1.134  -1.845  0.00  0.00    +0.002 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.106  -1.633  -0.462  0.00  0.00    -0.000 C 
BRANCH  30  32
ATOM     31  C   LIG    1        7.240  -0.949   0.761  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        6.285  -2.080   0.407  0.00  0.00    -0.003 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 8