REMARK  Name = BDB007547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.027  -1.254  -2.474  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.881  -0.741  -3.426  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.581   0.022  -4.018  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.383  -2.047  -1.612  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.404  -0.228  -1.245  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        2.077  -0.680  -1.294  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.372  -0.751  -2.504  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        1.994  -0.364  -3.694  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.298   0.123  -3.658  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        3.986   0.206  -2.442  0.00  0.00    +0.023 A 
BRANCH   5  11
ATOM     11  N   LIG    1        4.019  -0.109   0.005  0.00  0.00    -0.344 N 
ATOM     12  H   LIG    1        3.637  -0.776   0.674  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        5.471   0.018   0.091  0.00  0.00    +0.104 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.901   0.005   1.555  0.00  0.00    +0.047 C 
BRANCH  14  15
ATOM     15  C   LIG    1        7.409   0.166   1.689  0.00  0.00    +0.161 C 
BRANCH  15  17
ATOM     16  C   LIG    1        9.140   0.274   3.285  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        7.743   0.120   3.075  0.00  0.00    -0.383 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -2.285  -1.121  -3.501  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.205  -0.251  -2.622  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.886   1.127  -2.881  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -2.022   1.286  -2.463  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.084  -0.590  -1.115  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.245  -0.182  -0.287  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.065  -0.713   1.083  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.111  -0.245   2.072  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.872   0.909   1.826  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.810   1.342   2.772  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.974   0.647   3.970  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.207  -0.487   4.227  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.724   1.637   0.516  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.278  -0.930   3.285  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.430   1.275  -0.230  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 11