REMARK  Name = BDB060429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.655   0.336  -0.340  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.595  -0.674  -0.368  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.919   0.895  -0.363  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        2.206   2.072  -0.182  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -5.434  -3.508  -0.418  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -5.325  -2.121  -0.033  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -5.650  -1.912   0.898  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -4.192  -1.408  -0.386  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.207  -0.065   0.045  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.023   0.765  -0.030  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.125   2.169   0.039  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -1.974   2.967  -0.063  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -0.711   2.391  -0.191  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -0.579   1.008  -0.213  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -4.454   2.857   0.180  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -5.420   1.955   0.915  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -1.734   0.213  -0.125  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -5.500   0.622   0.195  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -3.295  -1.950  -1.027  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        3.029  -0.075  -0.589  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        4.255   0.152   0.054  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        5.331  -0.728  -0.121  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1        5.161  -1.835  -0.966  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        3.948  -2.055  -1.625  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.882  -1.175  -1.442  0.00  0.00    +0.013 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.605  -0.507   0.545  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        6.788   0.221   1.703  0.00  0.00    +0.113 A 
ATOM     28  N   LIG    1        8.123   0.171   1.987  0.00  0.00    -0.284 N 
ATOM     29  H   LIG    1        8.615   0.598   2.765  0.00  0.00    +0.188 HD
ATOM     30  N   LIG    1        8.830  -0.550   1.104  0.00  0.00    -0.182 NA
ATOM     31  C   LIG    1        7.909  -0.958   0.227  0.00  0.00    +0.142 A 
ENDBRANCH  22  26
ENDBRANCH   3  20
TORSDOF 3