REMARK  Name = BDB042671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.702   0.108  -0.496  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        3.489   1.355   0.267  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        2.273   2.149  -0.243  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.049   1.345  -0.289  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.164   1.941   0.020  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.254   3.140   0.281  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.221  -0.073  -0.623  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.571  -0.388  -1.298  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.509  -1.559  -0.911  0.00  0.00    +0.140 A 
ATOM     10  N   LIG    1        6.578  -1.841  -1.847  0.00  0.00    -0.243 NA
ATOM     11  C   LIG    1        5.353  -1.276  -1.677  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1        4.972  -0.431  -0.625  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        5.983  -0.183   0.313  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        7.258  -0.742   0.179  0.00  0.00    +0.041 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.858  -2.629  -1.208  0.00  0.00    -0.189 NA
ATOM     16  C   LIG    1        8.800  -2.162  -1.096  0.00  0.00    +0.119 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.387   1.040   0.010  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.631   1.771   0.517  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.840   0.871   0.526  0.00  0.00    +0.022 A 
ATOM     20  N   LIG    1       -4.436   0.603  -0.688  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -4.068   1.018  -1.538  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -5.551  -0.189  -0.861  0.00  0.00    +0.258 A 
ATOM     23  O   LIG    1       -6.036  -0.396  -1.968  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -6.130  -0.781   0.360  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1       -5.531  -0.508   1.585  0.00  0.00    +0.078 A 
ATOM     26  N   LIG    1       -5.983  -1.007   2.760  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -7.077  -1.802   2.700  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -7.738  -2.126   1.522  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -7.253  -1.604   0.326  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1       -4.353   0.352   1.652  0.00  0.00    +0.049 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5