REMARK  Name = BDB023869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.139   0.594  -1.266  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        1.007   0.176  -0.580  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        2.255   0.180  -1.217  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        2.362   0.594  -2.550  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        1.226   1.030  -3.232  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.015   1.036  -2.591  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -0.710  -4.016   2.169  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -2.175  -3.661   2.095  0.00  0.00    +0.213 C 
ATOM      9  N   LIG    1       -2.514  -2.503   1.404  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -1.548  -1.803   0.533  0.00  0.00    +0.146 C 
ATOM     11  C   LIG    1       -2.043  -0.448   0.162  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -1.449   0.578  -0.620  0.00  0.00    +0.098 A 
ATOM     13  N   LIG    1       -2.289   1.616  -0.755  0.00  0.00    -0.170 NA
ATOM     14  N   LIG    1       -3.388   1.286  -0.043  0.00  0.00    -0.262 N 
ATOM     15  C   LIG    1       -3.288   0.041   0.503  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -4.277  -0.717   1.313  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -3.949  -2.219   1.205  0.00  0.00    +0.114 C 
ATOM     18  O   LIG    1       -3.010  -4.378   2.646  0.00  0.00    -0.276 OA
BRANCH  14  19
ATOM     19  C   LIG    1       -4.473   2.240  -0.004  0.00  0.00    +0.135 C 
ATOM     20  C   LIG    1       -5.721   1.804  -0.756  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -6.859   2.296  -0.022  0.00  0.00    -0.378 OA
ATOM     22  C   LIG    1       -6.376   3.125   1.042  0.00  0.00    +0.162 C 
ATOM     23  C   LIG    1       -4.992   2.615   1.370  0.00  0.00    +0.057 C 
ENDBRANCH  14  19
ENDBRANCH   1  12
BRANCH   3  24
ATOM     24  C   LIG    1        3.435  -0.299  -0.447  0.00  0.00    +0.248 C 
ATOM     25  N   LIG    1        4.610   0.389  -0.694  0.00  0.00    -0.281 N 
ATOM     26  H   LIG    1        4.542   1.210  -1.282  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        3.268  -1.218   0.345  0.00  0.00    -0.270 OA
BRANCH  25  28
ATOM     28  C   LIG    1        5.882   0.131  -0.140  0.00  0.00    +0.035 A 
ATOM     29  C   LIG    1        6.916   1.017  -0.470  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        8.209   0.827   0.036  0.00  0.00    +0.054 A 
ATOM     31  C   LIG    1        8.476  -0.257   0.875  0.00  0.00    +0.019 A 
ATOM     32  C   LIG    1        7.453  -1.144   1.203  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        6.163  -0.951   0.697  0.00  0.00    +0.023 A 
BRANCH  30  34
ATOM     34  C   LIG    1        9.255   1.744  -0.311  0.00  0.00    +0.099 C 
ATOM     35  N   LIG    1       10.094   2.491  -0.599  0.00  0.00    -0.191 NA
ENDBRANCH  30  34
ENDBRANCH  25  28
ENDBRANCH   3  24
TORSDOF 5