REMARK  Name = BDB029629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.205  -1.588   0.291  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.191  -1.125  -1.060  0.00  0.00    +0.110 C 
ATOM      3  C   LIG    1       -1.635  -0.573  -1.141  0.00  0.00    +0.125 C 
ATOM      4  N   LIG    1       -2.619  -1.594  -0.703  0.00  0.00    -0.317 N 
ATOM      5  C   LIG    1       -3.860  -1.054  -0.337  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -4.100   0.339  -0.267  0.00  0.00    +0.237 A 
ATOM      7  O   LIG    1       -3.109   1.266  -0.501  0.00  0.00    -0.473 OA
ATOM      8  N   LIG    1       -5.288   0.907   0.028  0.00  0.00    -0.207 NA
ATOM      9  C   LIG    1       -6.316   0.055   0.274  0.00  0.00    +0.129 A 
ATOM     10  C   LIG    1       -6.204  -1.326   0.233  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -4.964  -1.878  -0.084  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -2.082  -2.741   0.050  0.00  0.00    +0.121 C 
ATOM     13  C   LIG    1       -1.803   0.709  -0.317  0.00  0.00    +0.254 C 
ATOM     14  C   LIG    1       -0.897  -2.326   0.955  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   9  15
ATOM     15  C   LIG    1       -7.633   0.689   0.608  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -7.623   2.067   0.559  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -6.716   2.498   0.391  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -8.748   2.864   0.965  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1       -8.612   0.015   0.906  0.00  0.00    -0.269 OA
ENDBRANCH   9  15
BRANCH   1  20
ATOM     20  C   LIG    1        1.442  -2.383   0.258  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        6.470   1.631  -0.771  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        5.693   2.142   0.407  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        6.022   3.159   1.009  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        4.590   1.422   0.788  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1        4.080   1.779   1.584  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.165   0.264   0.127  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        4.875  -0.207  -0.975  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1        4.535  -1.312  -1.671  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1        3.434  -1.973  -1.243  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        2.652  -1.582  -0.157  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        3.040  -0.433   0.545  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        6.057   0.525  -1.416  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1        8.881   2.166  -0.308  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        7.674   2.424  -1.198  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 4