REMARK  Name = BDB058182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.392  -0.534  -0.294  0.00  0.00    +0.165 A 
ATOM      2  N   LIG    1        1.697   0.745  -0.573  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        0.688   1.603  -0.465  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1        0.799   3.003  -0.689  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -0.435   3.565  -0.078  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -1.470   2.427  -0.005  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -0.104   4.171   1.303  0.00  0.00    +0.182 C 
ATOM      8  O   LIG    1        0.881   5.219   1.235  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1        1.850   5.036   0.185  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1        2.069   3.565  -0.205  0.00  0.00    +0.135 C 
ATOM     11  C   LIG    1       -0.589   1.234  -0.096  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.839  -0.091   0.157  0.00  0.00    +0.131 A 
ATOM     13  N   LIG    1        0.168  -0.976   0.079  0.00  0.00    -0.212 NA
ENDROOT
BRANCH  12  14
ATOM     14  N   LIG    1       -2.112  -0.507   0.551  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1       -2.233  -1.888   1.083  0.00  0.00    +0.101 C 
ATOM     16  C   LIG    1       -3.573  -1.922   1.869  0.00  0.00    +0.182 C 
ATOM     17  O   LIG    1       -4.708  -1.680   1.008  0.00  0.00    -0.376 OA
ATOM     18  C   LIG    1       -4.515  -0.500   0.199  0.00  0.00    +0.182 C 
ATOM     19  C   LIG    1       -2.344  -2.772  -0.173  0.00  0.00    +0.026 C 
ATOM     20  C   LIG    1       -2.912  -1.839  -1.248  0.00  0.00    +0.026 C 
ATOM     21  C   LIG    1       -3.138  -0.501  -0.521  0.00  0.00    +0.101 C 
ENDBRANCH  12  14
BRANCH   1  25
ATOM     22  C   LIG    1        4.578  -3.328  -0.604  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        4.803  -2.045  -0.922  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        3.754  -1.185  -0.810  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        2.469  -1.528  -0.392  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        2.284  -2.881  -0.078  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        3.341  -3.788  -0.187  0.00  0.00    +0.044 A 
BRANCH  22  28
ATOM     28  N   LIG    1        5.652  -4.201  -0.743  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        5.829  -4.711   0.114  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        6.452  -3.636  -1.019  0.00  0.00    +0.144 HD
ENDBRANCH  22  28
ENDBRANCH   1  25
TORSDOF 3