REMARK  Name = BDB023964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.277   5.647   0.828  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.836   4.296   0.463  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.932   3.309   0.091  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.524   2.028  -0.344  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.492   0.957  -0.354  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.612  -0.442  -0.552  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.588  -1.039  -0.476  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.461  -0.045  -0.217  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.855   1.174  -0.159  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.460   2.502   0.098  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.457   3.595  -0.333  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.050   4.097   0.511  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.825  -1.204  -0.828  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -2.362  -2.130   0.090  0.00  0.00    -0.002 A 
ATOM     15  C   LIG    1       -3.547  -2.807  -0.259  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -4.142  -3.782   0.694  0.00  0.00    +0.256 A 
ATOM     17  N   LIG    1       -3.476  -3.955   1.887  0.00  0.00    -0.329 N 
ATOM     18  H   LIG    1       -3.891  -4.624   2.525  0.00  0.00    +0.168 HD
ATOM     19  C   LIG    1       -2.326  -3.301   2.228  0.00  0.00    +0.086 A 
ATOM     20  O   LIG    1       -5.171  -4.398   0.436  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1       -4.184  -2.578  -1.486  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -3.644  -1.665  -2.386  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.756  -2.417   1.402  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -2.472  -0.983  -2.059  0.00  0.00    +0.011 A 
ENDBRANCH   6  13
BRANCH   8  25
ATOM     25  C   LIG    1        2.873  -0.355  -0.031  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1        3.105  -1.346   1.114  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        4.588  -1.659   1.232  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1        5.103  -2.148  -0.005  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        4.980  -1.206  -1.068  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1        3.521  -0.862  -1.323  0.00  0.00    +0.055 C 
ENDBRANCH   8  25
TORSDOF 2