REMARK  Name = BDB058183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.450  -0.611   0.104  0.00  0.00    +0.165 A 
ATOM      2  N   LIG    1        1.798   0.672  -0.099  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        0.782   1.525  -0.091  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1        0.881   2.908  -0.288  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -0.323   3.423   0.385  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -1.410   2.376   0.106  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -0.555   4.849  -0.111  0.00  0.00    +0.182 C 
ATOM      8  O   LIG    1        0.605   5.658   0.209  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1        1.807   5.130  -0.404  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1        2.093   3.658  -0.015  0.00  0.00    +0.135 C 
ATOM     11  C   LIG    1       -0.541   1.155   0.098  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.828  -0.171   0.273  0.00  0.00    +0.131 A 
ATOM     13  N   LIG    1        0.183  -1.057   0.299  0.00  0.00    -0.212 NA
ENDROOT
BRANCH  12  14
ATOM     14  N   LIG    1       -2.141  -0.596   0.481  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1       -2.332  -2.006   0.901  0.00  0.00    +0.101 C 
ATOM     16  C   LIG    1       -3.757  -2.075   1.518  0.00  0.00    +0.182 C 
ATOM     17  O   LIG    1       -4.780  -1.760   0.547  0.00  0.00    -0.376 OA
ATOM     18  C   LIG    1       -4.485  -0.530  -0.148  0.00  0.00    +0.182 C 
ATOM     19  C   LIG    1       -2.296  -2.801  -0.417  0.00  0.00    +0.026 C 
ATOM     20  C   LIG    1       -2.730  -1.790  -1.485  0.00  0.00    +0.026 C 
ATOM     21  C   LIG    1       -3.034  -0.501  -0.700  0.00  0.00    +0.101 C 
ENDBRANCH  12  14
BRANCH   1  25
ATOM     22  C   LIG    1        4.635  -3.424   0.128  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        4.908  -2.133  -0.101  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        3.859  -1.266  -0.101  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        2.526  -1.612   0.118  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        2.292  -2.975   0.346  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        3.349  -3.888   0.349  0.00  0.00    +0.044 A 
BRANCH  22  28
ATOM     28  N   LIG    1        5.713  -4.303   0.105  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        5.765  -4.849   0.957  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        6.547  -3.736  -0.031  0.00  0.00    +0.144 HD
ENDBRANCH  22  28
ENDBRANCH   1  25
TORSDOF 3