REMARK  Name = BDB055228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.154  -0.461   0.314  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.661   0.832   0.455  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        0.544   1.347  -0.223  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1        0.302   2.789  -0.628  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1       -0.362   3.647   0.271  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.553   4.985  -0.079  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1       -0.120   5.469  -1.312  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        0.524   4.614  -2.206  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.775   3.098   1.614  0.00  0.00    +0.058 C 
ATOM     10  C   LIG    1        0.741   3.279  -1.866  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.203   1.624   1.564  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1       -1.770  -1.005   1.232  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -1.514  -2.598  -1.093  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -0.904  -1.191  -1.006  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -1.457  -0.461  -2.240  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -1.903  -1.542  -3.226  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -1.527  -2.877  -2.592  0.00  0.00    +0.015 C 
BRANCH  13  19
ATOM     18  O   LIG    1       -3.284  -3.807   0.057  0.00  0.00    -0.251 OA
ATOM     19  C   LIG    1       -2.899  -2.796  -0.511  0.00  0.00    +0.309 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.753  -1.783  -0.743  0.00  0.00    -0.480 OA
ATOM     21  H   LIG    1       -4.556  -2.046  -0.246  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  13  19
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  O   LIG    1       -1.166   5.819   0.811  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -1.237   6.702   0.415  0.00  0.00    +0.292 HD
ENDBRANCH   6  22
BRANCH   3  24
ATOM     24  C   LIG    1        1.836   1.232   0.636  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  N   LIG    1        2.063  -0.105   1.157  0.00  0.00    -0.232 N 
ATOM     26  C   LIG    1        1.821  -0.472   2.453  0.00  0.00    +0.254 C 
ATOM     27  O   LIG    1        1.461   0.216   3.389  0.00  0.00    -0.270 OA
ATOM     28  C   LIG    1        2.105  -1.903   2.536  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        2.521  -2.321   1.284  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        2.861  -3.634   1.025  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1        2.771  -4.537   2.089  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        2.348  -4.111   3.366  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        2.007  -2.775   3.602  0.00  0.00    +0.014 A 
ATOM     34  C   LIG    1        2.491  -1.158   0.400  0.00  0.00    +0.254 C 
ATOM     35  O   LIG    1        2.771  -1.176  -0.784  0.00  0.00    -0.270 OA
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6