REMARK  Name = BDB060439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.249  -0.807  -0.333  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.915  -1.453  -0.734  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.761   0.298   0.322  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.135   1.207   0.850  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -5.404   3.667   0.766  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -5.473   2.233   0.626  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -5.779   1.735   1.449  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -4.453   1.576  -0.043  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.620   0.178  -0.079  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.519  -0.685  -0.434  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.761  -1.966  -0.968  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -2.687  -2.782  -1.350  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.374  -2.362  -1.148  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.109  -1.129  -0.549  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -5.161  -2.471  -1.182  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -6.077  -1.867  -0.138  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.183  -0.301  -0.203  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -5.982  -0.354  -0.207  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -3.532   2.200  -0.561  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        2.249   0.363   0.364  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.036  -0.777   0.557  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        4.431  -0.665   0.591  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        5.067   0.581   0.442  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        4.258   1.716   0.267  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.864   1.612   0.234  0.00  0.00    +0.013 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.532   0.693   0.476  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.294   0.137   1.506  0.00  0.00    +0.119 A 
ATOM     28  N   LIG    1        8.646   0.197   1.592  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        9.285   0.853   0.603  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        8.636   1.448  -0.465  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.246   1.364  -0.526  0.00  0.00    +0.011 A 
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 3