REMARK  Name = BDB023694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.585  -0.512   0.946  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.669  -1.085   0.998  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.731  -0.538   1.845  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        2.768  -1.650   1.933  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        2.619  -2.388   0.605  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        1.117  -2.296   0.325  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -0.808   0.570   1.501  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.251   0.740   1.196  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        1.649   1.947   1.437  0.00  0.00    -0.290 N 
ATOM     10  H   LIG    1        0.633   1.891   1.531  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        2.193   2.852   0.456  0.00  0.00    +0.199 C 
ATOM     12  C   LIG    1        2.715   4.110   1.129  0.00  0.00    +0.080 C 
ATOM     13  C   LIG    1        1.176   3.160  -0.636  0.00  0.00    +0.080 C 
ATOM     14  O   LIG    1        3.300   2.133  -0.127  0.00  0.00    -0.367 OA
ATOM     15  N   LIG    1        3.222   0.773   0.322  0.00  0.00    -0.070 NA
ENDBRANCH   3   8
BRANCH   5  16
ATOM     16  O   LIG    1        3.056  -3.732   0.742  0.00  0.00    -0.390 OA
ATOM     17  H   LIG    1        3.117  -4.108  -0.153  0.00  0.00    +0.210 HD
ENDBRANCH   5  16
BRANCH   1  18
ATOM     18  C   LIG    1       -1.670  -1.234   0.127  0.00  0.00    +0.146 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -1.394   1.242  -4.348  0.00  0.00    +0.069 C 
ATOM     20  C   LIG    1       -1.425   0.272  -3.231  0.00  0.00    +0.081 A 
ATOM     21  N   LIG    1       -1.222  -1.030  -3.463  0.00  0.00    -0.083 NA
ATOM     22  O   LIG    1       -1.312  -1.651  -2.232  0.00  0.00    -0.359 OA
ATOM     23  C   LIG    1       -1.558  -0.720  -1.270  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -1.649   0.519  -1.859  0.00  0.00    +0.071 A 
ENDBRANCH  18  23
BRANCH  18  25
ATOM     25  C   LIG    1       -3.087  -1.000   0.718  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.184  -1.556   2.147  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1       -4.180  -1.660  -0.134  0.00  0.00    +0.008 C 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 5