REMARK  Name = BDB053820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.285   0.501   1.344  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1       -1.012   0.753   1.641  0.00  0.00    -0.126 NA
ATOM      3  N   LIG    1       -0.344  -0.244   1.002  0.00  0.00    -0.180 N 
ATOM      4  C   LIG    1       -1.279  -1.131   0.466  0.00  0.00    +0.219 A 
ATOM      5  N   LIG    1       -2.481  -0.640   0.623  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.084  -0.249   0.951  0.00  0.00    +0.163 A 
ATOM      7  N   LIG    1        1.745   0.603   1.773  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1        3.079   0.567   1.722  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1        3.812  -0.217   0.923  0.00  0.00    -0.221 NA
ATOM     10  C   LIG    1        3.137  -1.019   0.092  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        1.757  -1.078   0.074  0.00  0.00    +0.091 A 
BRANCH  10  12
ATOM     12  N   LIG    1        3.924  -1.820  -0.736  0.00  0.00    -0.328 N 
ATOM     13  H   LIG    1        4.880  -1.565  -0.492  0.00  0.00    +0.147 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.667  -1.654  -2.171  0.00  0.00    +0.118 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.777  -2.313  -3.028  0.00  0.00    +0.102 C 
BRANCH  15  16
ATOM     16  N   LIG    1        5.987  -1.536  -3.354  0.00  0.00    -0.307 NA
ATOM     17  C   LIG    1        6.781  -1.160  -2.192  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1        5.710  -0.376  -4.196  0.00  0.00    +0.104 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   4  19
ATOM     19  N   LIG    1       -1.021  -2.346  -0.081  0.00  0.00    -0.327 N 
ATOM     20  H   LIG    1       -1.879  -2.862  -0.275  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -0.388  -2.950   0.440  0.00  0.00    +0.145 HD
ENDBRANCH   4  19
BRANCH   1  22
ATOM     22  N   LIG    1       -3.295   1.290   1.740  0.00  0.00    -0.279 N 
ATOM     23  H   LIG    1       -3.024   2.097   2.295  0.00  0.00    +0.155 HD
BRANCH  22  25
ATOM     24  C   LIG    1       -5.469   2.283   2.165  0.00  0.00    +0.141 A 
ATOM     25  C   LIG    1       -4.697   1.261   1.559  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -5.359   0.276   0.818  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -6.749   0.297   0.675  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -7.497   1.306   1.274  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.861   2.299   2.019  0.00  0.00    +0.047 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -5.473   4.256   3.511  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -4.744   3.213   2.876  0.00  0.00    -0.493 OA
ENDBRANCH  24  31
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 9