REMARK  Name = BDB065086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.391   0.816  -2.145  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.329   0.519  -1.145  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1        1.883   0.136   0.124  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.532   0.029   0.428  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -0.414   0.330  -0.559  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -1.766   0.213  -0.174  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1       -2.115  -0.198   1.052  0.00  0.00    -0.203 NA
ATOM      8  C   LIG    1       -1.121  -0.467   1.910  0.00  0.00    +0.234 A 
ATOM      9  N   LIG    1        0.192  -0.360   1.659  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        0.030   0.716  -1.850  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        0.984   1.398  -4.429  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        1.899   1.188  -3.363  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  C   LIG    1       -1.503  -0.896   3.230  0.00  0.00    +0.140 C 
ATOM     14  N   LIG    1       -1.818  -1.240   4.296  0.00  0.00    -0.188 NA
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  N   LIG    1       -2.772   0.520  -1.104  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -2.611   1.456  -1.470  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -4.198   0.330  -0.784  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -4.705   1.257   0.325  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -5.774   0.587   1.195  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1       -6.734  -0.131   0.348  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1       -6.084  -1.269  -0.339  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -4.571  -1.129  -0.544  0.00  0.00    +0.037 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -7.972  -0.545   1.053  0.00  0.00    +0.050 C 
ATOM     24  C   LIG    1       -8.966  -1.227   0.094  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -8.707   0.636   1.707  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   2  26
ATOM     26  O   LIG    1        3.648   0.659  -1.493  0.00  0.00    -0.488 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.650   0.030  -0.688  0.00  0.00    +0.230 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.238   1.041   0.295  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.237   0.411   1.269  0.00  0.00    +0.087 C 
BRANCH  29  30
ATOM     30  N   LIG    1        7.361  -0.254   0.609  0.00  0.00    -0.302 NA
ATOM     31  C   LIG    1        8.256   0.668  -0.097  0.00  0.00    +0.084 C 
ATOM     32  C   LIG    1        9.513  -0.162  -0.318  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1        9.466  -1.255   0.743  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1        8.224  -0.952   1.565  0.00  0.00    +0.084 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 10