REMARK  Name = BDB021936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.844   0.997  -0.337  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -2.696   1.901  -0.757  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.790   0.525   0.414  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1       -0.640   1.242   0.128  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -0.581   1.571  -0.823  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -1.818  -0.381   1.235  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -8.236  -0.901  -0.808  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -6.812  -0.442  -0.659  0.00  0.00    -0.047 A 
ATOM      9  C   LIG    1       -5.862  -1.207   0.044  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1       -6.229  -2.521   0.680  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.540  -0.736   0.160  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.152   0.479  -0.408  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -5.101   1.227  -1.110  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -6.417   0.773  -1.233  0.00  0.00    +0.005 A 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1        0.630   0.896   0.764  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1        1.604   2.083   0.697  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        3.072   1.652   0.598  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1        3.291   0.439   1.371  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        2.565  -0.720   0.847  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1        1.256  -0.349   0.138  0.00  0.00    +0.038 C 
BRANCH  18  21
ATOM     21  C   LIG    1        4.691   0.165   1.716  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.645  -0.071   0.563  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1        5.924  -1.373   0.120  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        6.806  -1.591  -0.940  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.424  -0.512  -1.567  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.163   0.786  -1.134  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.281   1.006  -0.074  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   4  15
TORSDOF 4