REMARK  Name = BDB015138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.221  -1.413   0.368  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.907  -1.763   0.004  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.438  -3.069   0.171  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        2.289  -4.039   0.701  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        3.593  -3.713   1.068  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.055  -2.408   0.902  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        5.277   2.881   3.346  0.00  0.00    +0.150 C 
ATOM      8  N   LIG    1        5.105   2.987   1.919  0.00  0.00    -0.333 N 
ATOM      9  C   LIG    1        4.617   2.010   1.088  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1        4.640   2.599  -0.172  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1        4.191   1.868  -1.280  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.730   0.558  -1.081  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        3.710  -0.035   0.194  0.00  0.00    -0.016 A 
ATOM     14  N   LIG    1        5.130   3.881  -0.109  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        4.163   0.702   1.306  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        5.400   4.083   1.161  0.00  0.00    +0.200 A 
ENDBRANCH   1  13
BRANCH   3  17
ATOM     17  O   LIG    1        0.184  -3.519  -0.139  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.749  -2.552  -0.647  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.082  -3.279  -0.861  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.585  -3.776   0.389  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -1.819  -4.180   0.838  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.143  -2.408  -1.570  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.260  -1.008  -1.106  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.130  -0.254  -2.035  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.438   1.157  -1.583  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -4.322   1.520  -0.231  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -4.648   2.821   0.172  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.113   3.751  -0.757  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.249   3.389  -2.095  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.784   0.528   0.767  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -4.916   2.098  -2.506  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.824  -0.919   0.254  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7