REMARK  Name = BDB001724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.179   0.371   1.297  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1        1.552  -0.946   1.595  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        2.614  -1.553   0.922  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        3.321  -0.854  -0.064  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1        2.950   0.463  -0.362  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.890   1.069   0.314  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.022   1.020   2.015  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -1.343   0.459   1.606  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.707   0.780   0.154  0.00  0.00    +0.059 C 
BRANCH   9  12
ATOM     10  C   LIG    1       -2.723  -2.130  -1.205  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1       -3.437  -0.924  -0.754  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -3.062   0.281  -0.198  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1       -4.181   1.051   0.027  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1       -5.183   0.303  -0.399  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1       -4.796  -0.918  -0.890  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -6.613   0.598  -0.413  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -7.557  -0.317  -0.904  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -8.920  -0.007  -0.905  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -9.357   1.222  -0.415  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -8.433   2.142   0.076  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -7.071   1.831   0.076  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1        4.490  -1.501  -0.770  0.00  0.00    +0.073 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.796  -1.396   0.028  0.00  0.00    +0.219 C 
BRANCH  23  24
ATOM     24  N   LIG    1        6.319  -0.035   0.067  0.00  0.00    -0.257 N 
ATOM     25  N   LIG    1        6.892   0.503  -1.039  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        7.229   1.737  -0.649  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1        6.890   1.987   0.692  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        6.306   0.823   1.131  0.00  0.00    +0.109 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1        6.789  -2.392  -0.538  0.00  0.00    +0.330 C 
ATOM     30  O   LIG    1        6.782  -3.574  -0.209  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.643  -1.938  -1.484  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1        7.556  -0.960  -1.639  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10