REMARK  Name = BDB004687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.235   0.971  -0.113  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1        2.199   1.186   0.880  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        3.560   0.636  -0.466  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        4.227  -0.388   0.240  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        5.551  -0.666  -0.152  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        6.240  -1.677   0.552  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        5.626  -2.390   1.600  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.318  -2.119   1.966  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        6.118   0.019  -1.171  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        5.382   0.949  -1.790  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        3.623  -1.127   1.290  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        4.131   1.289  -1.489  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        7.653  -2.070   0.249  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        8.219  -2.962   0.872  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        8.313  -1.413  -0.746  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        9.259  -1.685  -0.970  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        7.852  -0.689  -1.288  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1        1.641   2.050  -0.893  0.00  0.00    +0.138 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -2.064   1.552  -0.079  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -0.765   1.343  -0.560  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        0.243   2.305  -0.375  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1       -0.065   3.486   0.310  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -1.356   3.700   0.790  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.351   2.738   0.596  0.00  0.00    +0.023 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.320   0.491   0.056  0.00  0.00    +0.405 C 
ATOM     26  N   LIG    1       -3.005   0.535  -0.310  0.00  0.00    -0.251 N 
ATOM     27  H   LIG    1       -2.701  -0.288  -0.810  0.00  0.00    +0.158 HD
ATOM     28  O   LIG    1       -4.955   1.335   0.666  0.00  0.00    -0.226 OA
BRANCH  25  29
ATOM     29  O   LIG    1       -4.827  -0.690  -0.386  0.00  0.00    -0.444 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -7.164  -0.060  -0.852  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -6.216  -1.040  -0.152  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -6.380  -2.425  -0.798  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -6.517  -1.161   1.346  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  19  26
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 7