REMARK  Name = BDB034423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.259   0.056   1.011  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -4.024  -1.219   0.492  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -2.796  -1.570  -0.052  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.740  -0.626  -0.060  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.484  -1.031  -0.604  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -0.401  -2.300  -1.178  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.497  -3.139  -1.120  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -1.994   0.663   0.471  0.00  0.00    +0.015 A 
ATOM      9  N   LIG    1       -2.672  -2.806  -0.557  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1       -3.237   0.995   1.009  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        0.592  -0.118  -0.649  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        0.597   0.452   0.194  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        1.928  -0.571  -1.028  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.930   0.585  -1.005  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.206   1.196   0.375  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1        3.641   0.280   1.432  0.00  0.00    -0.312 NA
ATOM     17  H   LIG    1        2.926  -0.427   1.597  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1        4.917  -0.393   1.164  0.00  0.00    +0.120 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.099   0.534   1.104  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        6.949   0.570   0.011  0.00  0.00    +0.171 A 
ATOM     21  O   LIG    1        6.837  -0.181  -1.121  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1        7.973   0.284  -1.877  0.00  0.00    +0.466 C 
ATOM     23  O   LIG    1        8.742   1.293  -1.195  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1        8.040   1.410  -0.036  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1        8.354   2.261   1.002  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        7.522   2.250   2.123  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.408   1.393   2.174  0.00  0.00    +0.009 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  28
ATOM     28  O   LIG    1       -5.447   0.457   1.583  0.00  0.00    -0.452 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -7.075   0.203  -0.211  0.00  0.00    +0.162 A 
ATOM     30  C   LIG    1       -6.607  -0.091   1.081  0.00  0.00    +0.170 A 
ATOM     31  C   LIG    1       -7.342  -0.910   1.943  0.00  0.00    +0.050 A 
ATOM     32  C   LIG    1       -8.535  -1.480   1.507  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -8.999  -1.214   0.220  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -8.277  -0.372  -0.633  0.00  0.00    +0.049 A 
BRANCH  29  36
ATOM     35  C   LIG    1       -6.606   1.142  -2.347  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1       -6.321   1.070  -0.957  0.00  0.00    -0.491 OA
ENDBRANCH  29  36
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 10