REMARK  Name = BDB050026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.700  -1.034   0.694  0.00  0.00    +0.075 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -8.191   1.365  -0.626  0.00  0.00    +0.008 C 
ATOM      3  C   LIG    1       -6.901   0.555  -0.521  0.00  0.00    -0.009 C 
ATOM      4  C   LIG    1       -5.671   1.464  -0.689  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1       -4.391   0.789  -0.295  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -4.314  -0.357   0.403  0.00  0.00    +0.052 A 
ATOM      7  N   LIG    1       -3.135  -0.978   0.745  0.00  0.00    -0.238 NA
ATOM      8  C   LIG    1       -2.034  -0.408   0.377  0.00  0.00    +0.110 A 
ATOM      9  N   LIG    1       -1.992   0.753  -0.338  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -1.114   1.174  -0.601  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -5.563  -1.059   0.886  0.00  0.00    +0.056 C 
ATOM     12  C   LIG    1       -3.119   1.421  -0.708  0.00  0.00    +0.255 A 
ATOM     13  O   LIG    1       -3.077   2.473  -1.337  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -6.826  -0.196   0.812  0.00  0.00    +0.010 C 
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.209  -1.853  -0.501  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.160  -2.495  -0.251  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.220  -1.513   0.022  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        2.642  -0.789  -1.188  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1        3.649   0.327  -0.848  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        4.720  -0.130   0.110  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1        4.588  -1.298   0.764  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1        3.383  -2.184   0.631  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1        5.916   0.712   0.291  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        6.307   1.119   1.575  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        7.435   1.924   1.756  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        8.184   2.331   0.654  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.807   1.933  -0.627  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.678   1.129  -0.807  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5