REMARK  Name = BDB031154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.643   1.019   0.906  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.663   0.179   1.382  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1       -0.348   0.688   1.766  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.205  -0.372   2.717  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -0.415  -1.668   2.203  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.806  -1.225   1.743  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.426   2.231   0.768  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.478   0.863   0.525  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1        0.254   1.907  -0.339  0.00  0.00    -0.346 N 
ATOM     10  H   LIG    1       -0.479   2.600  -0.227  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        1.134   1.789  -1.373  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        1.887   0.657  -1.112  0.00  0.00    +0.143 A 
ATOM     13  N   LIG    1        1.456   0.099   0.082  0.00  0.00    -0.226 NA
BRANCH  12  14
ATOM     14  C   LIG    1        2.980   0.164  -1.976  0.00  0.00    +0.266 C 
ATOM     15  N   LIG    1        3.619  -1.046  -1.669  0.00  0.00    -0.295 N 
ATOM     16  C   LIG    1        3.293  -1.870  -0.516  0.00  0.00    +0.132 C 
ATOM     17  O   LIG    1        3.321   0.829  -2.958  0.00  0.00    -0.268 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.842  -1.375  -2.392  0.00  0.00    +0.142 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.088  -0.986  -1.630  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        6.512   0.351  -1.602  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        7.656   0.718  -0.892  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        8.386  -0.246  -0.199  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        7.973  -1.577  -0.216  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.830  -1.946  -0.926  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  12  14
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1       -0.464  -2.658   3.219  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1       -0.966  -2.304   3.974  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -4.022   0.416   0.537  0.00  0.00    +0.164 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -6.235   2.166   3.070  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -5.365   1.084   2.489  0.00  0.00    +0.211 C 
ATOM     30  N   LIG    1       -5.011   1.291   1.174  0.00  0.00    -0.304 N 
ATOM     31  H   LIG    1       -5.000   2.258   0.867  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1       -5.000   0.114   3.145  0.00  0.00    -0.276 OA
ENDBRANCH  27  30
BRANCH  27  33
ATOM     33  C   LIG    1       -4.246   0.290  -1.005  0.00  0.00    -0.011 C 
ATOM     34  C   LIG    1       -4.178   1.643  -1.740  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -5.638  -0.328  -1.263  0.00  0.00    +0.013 C 
ATOM     36  C   LIG    1       -3.195  -0.649  -1.628  0.00  0.00    +0.013 C 
ENDBRANCH  27  33
ENDBRANCH   1  27
TORSDOF 8