REMARK  Name = BDB026457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.431  -0.252  -0.491  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        1.191  -0.265  -1.137  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        0.525  -1.250  -1.410  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        0.852   1.061  -1.417  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        1.774   1.962  -0.762  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        2.997   1.082  -0.541  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.240  -1.448  -0.391  0.00  0.00    +0.144 C 
BRANCH   7  12
ATOM      8  C   LIG    1        6.410  -1.353   1.749  0.00  0.00    +0.138 A 
ATOM      9  C   LIG    1        5.858  -1.388   3.040  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        4.468  -1.447   3.210  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        3.625  -1.470   2.100  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        4.160  -1.433   0.806  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1        5.554  -1.374   0.640  0.00  0.00    +0.052 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.374  -1.335   0.384  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        7.777  -1.293   1.674  0.00  0.00    -0.494 OA
ENDBRANCH   8  15
BRANCH   9  16
ATOM     16  C   LIG    1        6.694  -1.365   4.208  0.00  0.00    +0.103 C 
ATOM     17  N   LIG    1        7.334  -1.348   5.176  0.00  0.00    -0.191 NA
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -0.491   1.460  -1.809  0.00  0.00    +0.142 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.469   1.534  -0.626  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.202   2.715   0.153  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -2.040   2.878   0.634  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.930   1.608  -1.125  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.863   1.888  -0.007  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.134   0.687   0.814  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.076  -0.320   0.188  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.982   0.062  -0.817  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.867  -0.883  -1.353  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.867  -2.195  -0.881  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.982  -2.573   0.126  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.959   1.466  -1.365  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.093  -1.641   0.661  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.148   2.431  -0.487  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 9