REMARK  Name = BDB007679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.587  -0.614  -2.327  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -1.111  -0.267  -1.104  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.529  -0.079  -0.300  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.281  -0.742  -3.332  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.101  -0.982  -1.556  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1        3.622  -1.326  -2.751  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1        2.761  -1.437  -3.781  0.00  0.00    +0.115 A 
ATOM      8  C   LIG    1        1.403  -1.208  -3.668  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        0.885  -0.843  -2.421  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        1.757  -0.724  -1.340  0.00  0.00    +0.080 A 
BRANCH   5  11
ATOM     11  O   LIG    1        3.928  -0.859  -0.456  0.00  0.00    -0.473 OA
BRANCH  11  17
ATOM     12  C   LIG    1        9.710   1.025   0.818  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        9.146  -0.362   1.000  0.00  0.00    +0.212 C 
ATOM     14  N   LIG    1        7.853  -0.588   0.549  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1        7.265  -1.903   0.783  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        5.747  -1.856   0.729  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1        5.259  -1.374  -0.644  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1        6.178  -0.296  -1.245  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        7.042   0.385  -0.188  0.00  0.00    +0.111 C 
ATOM     20  O   LIG    1        9.821  -1.242   1.535  0.00  0.00    -0.276 OA
ENDBRANCH  11  17
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  C   LIG    1       -2.526   0.035  -0.913  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.717   1.530  -0.626  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.007   1.877   0.578  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -2.221   2.804   0.781  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -4.207   1.950  -0.556  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -5.111   1.077   0.219  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -6.513   1.506   0.011  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -7.521   0.772   0.868  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -7.120   0.073   2.019  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.078  -0.578   2.808  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -9.430  -0.511   2.472  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -9.834   0.202   1.346  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.658  -0.020   2.364  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -8.886   0.844   0.549  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.814   1.053   1.659  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 8