REMARK  Name = BDB017129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.899  -1.039   0.470  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1       -3.362  -2.365   0.246  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -2.504  -3.281  -0.412  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -2.930  -4.598  -0.651  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -4.192  -5.029  -0.247  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -5.044  -4.148   0.403  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.225  -2.874  -0.822  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -0.761  -1.574  -0.589  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -4.635  -2.834   0.646  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -1.601  -0.667   0.059  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        0.623  -1.225  -1.049  0.00  0.00    +0.167 C 
ATOM     12  O   LIG    1        1.271  -2.075  -1.660  0.00  0.00    -0.292 OA
BRANCH  11  13
ATOM     13  C   LIG    1        1.190   0.164  -0.762  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1        2.731   0.125  -0.793  0.00  0.00    +0.095 C 
ATOM     15  N   LIG    1        3.250   1.499  -0.778  0.00  0.00    -0.301 NA
ATOM     16  C   LIG    1        2.929   2.200  -2.034  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1        1.666   1.680  -2.736  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1        0.615   1.206  -1.739  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1        4.687   1.520  -0.486  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.136   2.917  -0.169  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1        5.790   3.790  -1.213  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        6.610   3.228  -0.086  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1       -3.734  -0.001   1.184  0.00  0.00    +0.140 C 
BRANCH  23  26
ATOM     24  C   LIG    1       -4.163   0.375   4.915  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -4.239   0.743   3.458  0.00  0.00    +0.210 C 
ATOM     26  N   LIG    1       -3.653  -0.170   2.615  0.00  0.00    -0.311 N 
ATOM     27  H   LIG    1       -3.401  -1.082   2.975  0.00  0.00    +0.149 HD
ATOM     28  O   LIG    1       -4.790   1.766   3.068  0.00  0.00    -0.276 OA
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 6