REMARK  Name = BDB065355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.489  -0.018  -0.228  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        3.354   1.083  -0.271  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        4.677   0.937  -0.701  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        5.165  -0.314  -1.100  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1        4.304  -1.417  -1.058  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        2.982  -1.268  -0.626  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -0.810   0.813   0.901  0.00  0.00    -0.251 N 
ATOM      8  N   LIG    1       -0.922  -0.517   0.756  0.00  0.00    -0.065 NA
ATOM      9  N   LIG    1        0.250  -0.966   0.328  0.00  0.00    -0.130 NA
ATOM     10  C   LIG    1        1.110   0.101   0.216  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        0.444   1.248   0.588  0.00  0.00    +0.138 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -1.931   1.599   1.363  0.00  0.00    +0.145 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.666   2.336   0.242  0.00  0.00    +0.023 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.299   1.440  -0.829  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.366   0.491  -0.279  0.00  0.00    +0.001 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.042  -0.291  -1.410  0.00  0.00    +0.011 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -6.080  -1.288  -0.894  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -7.341  -0.627  -0.385  0.00  0.00    +0.307 C 
ATOM     19  O   LIG    1       -7.622   0.557  -0.505  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -8.130  -1.565   0.212  0.00  0.00    -0.465 OA
BRANCH  20  22
ATOM     21  C   LIG    1      -10.443  -1.102  -0.335  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -9.376  -1.089   0.743  0.00  0.00    +0.229 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1        6.602  -0.468  -1.549  0.00  0.00    +0.161 C 
BRANCH  23  24
ATOM     24  N   LIG    1        7.543  -0.423  -0.433  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1        8.229   0.768  -0.176  0.00  0.00    +0.350 A 
ATOM     26  O   LIG    1        8.058   1.767  -0.872  0.00  0.00    -0.244 OA
ATOM     27  N   LIG    1        9.105   0.800   0.885  0.00  0.00    -0.178 NA
ATOM     28  C   LIG    1        9.262  -0.251   1.625  0.00  0.00    +0.123 A 
ATOM     29  C   LIG    1        8.543  -1.520   1.400  0.00  0.00    +0.061 A 
ATOM     30  C   LIG    1        7.710  -1.535   0.362  0.00  0.00    +0.094 A 
BRANCH  28  31
ATOM     31  N   LIG    1       10.141  -0.149   2.668  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1        9.903  -0.652   3.514  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       10.396   0.819   2.846  0.00  0.00    +0.144 HD
ENDBRANCH  28  31
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 13