REMARK  Name = BDB029654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.247   2.839  -2.206  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.717   3.338  -0.928  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        0.109   2.261   0.003  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -0.934   1.483  -0.690  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -0.833   1.409  -2.158  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.639   1.564  -2.614  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.958   0.861   0.001  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -3.152   0.446  -0.607  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -4.195  -0.173   0.007  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -4.049  -0.401   1.339  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -2.922  -0.039   2.056  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -1.879   0.593   1.374  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -5.191  -1.081   2.027  0.00  0.00    +0.263 C 
ATOM     14  N   LIG    1       -6.245  -1.387   1.188  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -6.132  -1.114   0.214  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -5.162  -1.328   3.228  0.00  0.00    -0.269 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -7.430  -2.044   1.623  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1       -8.463  -2.501   0.630  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -7.626  -3.511   1.359  0.00  0.00    +0.024 C 
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        2.701   2.908  -2.363  0.00  0.00    +0.121 C 
BRANCH  20  31
ATOM     21  C   LIG    1        6.979  -2.239   2.021  0.00  0.00    +0.049 C 
ATOM     22  C   LIG    1        6.169  -1.404   1.081  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        5.746  -2.060  -0.199  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1        6.048  -3.220  -0.461  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1        5.001  -1.306  -1.069  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        4.724  -1.765  -1.926  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        4.635   0.020  -0.812  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        5.029   0.632   0.375  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1        4.724   1.906   0.697  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1        3.989   2.593  -0.209  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1        3.528   2.070  -1.419  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1        3.878   0.748  -1.722  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1        5.821  -0.130   1.333  0.00  0.00    +0.038 A 
ENDBRANCH  20  31
ENDBRANCH   1  20
TORSDOF 5