REMARK  Name = BDB006885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.296   0.830  -0.125  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.168  -0.469   0.069  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.487  -0.868   0.022  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        1.594  -2.288   0.260  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        2.780  -2.910   0.238  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1        4.019  -2.123  -0.017  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        3.847  -0.754  -0.220  0.00  0.00    -0.309 N 
ATOM      8  O   LIG    1        5.098  -2.710  -0.033  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.221  -2.854   0.528  0.00  0.00    +0.008 C 
ATOM     10  C   LIG    1        0.091  -3.291   1.994  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -0.119  -4.026  -0.400  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        2.594  -0.149  -0.195  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1       -0.700  -1.645   0.243  0.00  0.00    +0.124 C 
ATOM     14  O   LIG    1        0.433   1.795  -0.373  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -1.813   1.062   0.000  0.00  0.00    +0.181 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -4.049   0.640  -0.986  0.00  0.00    +0.097 C 
ATOM     17  N   LIG    1       -2.571   0.460  -1.123  0.00  0.00    -0.286 NA
ATOM     18  C   LIG    1       -2.156   1.032  -2.430  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -2.612   2.497  -2.673  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1       -2.201   2.954  -4.072  0.00  0.00    +0.025 C 
ATOM     21  N   LIG    1       -4.072   2.654  -2.531  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -4.529   2.126  -3.276  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -4.527   2.100  -1.241  0.00  0.00    +0.102 C 
BRANCH  16  24
ATOM     24  C   LIG    1       -4.627   0.107   0.346  0.00  0.00    +0.179 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -6.628  -0.472   1.456  0.00  0.00    +0.194 C 
ATOM     26  O   LIG    1       -6.052   0.024   0.255  0.00  0.00    -0.381 OA
ENDBRANCH  24  26
ENDBRANCH  16  24
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   7  27
ATOM     27  C   LIG    1        5.031   0.077  -0.433  0.00  0.00    +0.160 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.506   0.741   0.840  0.00  0.00    -0.028 A 
ATOM     29  C   LIG    1        5.141   2.061   1.139  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        5.571   2.664   2.323  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.365   1.952   3.221  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.727   0.636   2.938  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.298   0.033   1.755  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 6