REMARK  Name = BDB062340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.444   1.587   0.973  0.00  0.00    -0.330 N 
ATOM      2  C   LIG    1        1.393   2.177   2.205  0.00  0.00    +0.160 A 
ATOM      3  C   LIG    1        0.534   1.413   2.998  0.00  0.00    +0.112 A 
ATOM      4  N   LIG    1        0.299   1.739   4.299  0.00  0.00    -0.250 NA
ATOM      5  C   LIG    1        0.950   2.855   4.697  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1        1.791   3.596   3.880  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1        0.042   0.332   2.206  0.00  0.00    +0.018 A 
ATOM      8  N   LIG    1        2.061   3.289   2.590  0.00  0.00    -0.234 NA
ATOM      9  C   LIG    1        0.662   0.460   0.965  0.00  0.00    +0.095 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.906  -0.770   2.628  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -1.729  -0.515   3.892  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -1.767  -1.169   1.486  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -2.667  -0.238   0.955  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -2.896   0.848   1.504  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.313  -0.499  -0.427  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -3.922  -1.772  -0.630  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -3.868  -2.228  -1.988  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -3.958  -1.077  -2.998  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -2.819  -0.148  -2.895  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -3.142   0.787  -3.147  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -2.281  -0.129  -1.518  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -1.585  -2.506   0.960  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -2.636  -3.572   1.155  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -1.323  -3.706   1.847  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        2.212   2.081  -0.156  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.622   1.499  -0.185  0.00  0.00    +0.040 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.467   2.099  -1.305  0.00  0.00    +0.109 C 
BRANCH  27  29
ATOM     28  C   LIG    1        4.001   0.641  -3.241  0.00  0.00    +0.400 C 
ATOM     29  N   LIG    1        3.929   1.852  -2.623  0.00  0.00    -0.281 N 
ATOM     30  H   LIG    1        3.595   2.616  -3.195  0.00  0.00    +0.152 HD
ATOM     31  O   LIG    1        4.450  -0.381  -2.748  0.00  0.00    -0.226 OA
BRANCH  28  33
ATOM     32  C   LIG    1        3.504  -0.462  -5.235  0.00  0.00    +0.282 C 
ATOM     33  O   LIG    1        3.489   0.756  -4.490  0.00  0.00    -0.454 OA
ENDBRANCH  28  33
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9