REMARK  Name = BDB052963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.709   0.522  -1.070  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -0.335   1.828  -1.415  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1        0.967   2.238  -1.107  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        1.880   1.395  -0.481  0.00  0.00    +0.110 A 
ATOM      5  N   LIG    1        3.083   2.035  -0.272  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        2.921   3.236  -0.775  0.00  0.00    +0.200 A 
ATOM      7  C   LIG    1        1.511   0.074  -0.132  0.00  0.00    +0.059 A 
ATOM      8  N   LIG    1        1.664   3.410  -1.293  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1        0.204  -0.340  -0.456  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        1.171   4.627  -1.927  0.00  0.00    +0.083 C 
ATOM     11  C   LIG    1        1.964   4.969  -3.189  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1        1.145   5.802  -0.949  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   7  13
ATOM     13  N   LIG    1        2.435  -0.803   0.482  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1        3.315  -0.284   0.575  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.002  -1.285   1.790  0.00  0.00    +0.137 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.144  -2.019   2.455  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        3.832  -1.448   3.535  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        4.888  -2.131   4.141  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.271  -3.386   3.671  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.601  -3.959   2.591  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.545  -3.278   1.984  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   7  13
BRANCH   1  22
ATOM     22  O   LIG    1       -1.995   0.205  -1.425  0.00  0.00    -0.487 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.607  -0.972  -0.856  0.00  0.00    +0.187 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.726  -3.509  -1.269  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -2.407  -2.138  -1.841  0.00  0.00    +0.042 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -4.100  -0.598  -0.646  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.940  -1.586   0.056  0.00  0.00    -0.305 NA
ATOM     28  C   LIG    1       -6.353  -1.214  -0.058  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1       -4.574  -1.704   1.469  0.00  0.00    +0.104 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 9