REMARK  Name = BDB014639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.159  -1.139   2.130  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.113  -0.837   1.286  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.338  -0.787   0.295  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.002  -1.535   3.283  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.540  -0.867   1.538  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.519  -1.115   0.133  0.00  0.00    -0.483 OA
BRANCH   6   9
ATOM      7  C   LIG    1        6.038  -0.307  -0.795  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        4.886  -0.445  -0.001  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        3.698  -0.945  -0.539  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        3.658  -1.307  -1.887  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.792  -1.182  -2.687  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.978  -0.684  -2.143  0.00  0.00    +0.010 A 
BRANCH   7  16
ATOM     13  C   LIG    1       10.642   1.390  -0.023  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        9.276   0.970   0.148  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        8.458   0.466  -0.824  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        7.253   0.227  -0.194  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        7.341   0.578   1.138  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        8.567   1.016   1.311  0.00  0.00    +0.199 A 
ENDBRANCH   7  16
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.255  -1.190   1.618  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.252  -0.385   0.779  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.045  -0.674  -0.614  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -2.885  -0.410  -1.044  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.705  -0.742   1.152  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.677  -0.092   0.240  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.990  -0.766   0.364  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -7.111  -0.075  -0.383  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -7.009   1.277  -0.752  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -8.078   1.904  -1.407  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -9.252   1.200  -1.673  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -9.363  -0.136  -1.294  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.729   2.028  -0.498  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -8.300  -0.771  -0.651  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.841   1.341   0.549  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9