REMARK  Name = BDB031158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.330  -1.122   2.103  0.00  0.00    +0.144 C 
ATOM      2  N   LIG    1       -1.569  -1.907   2.073  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -2.522  -2.024   1.079  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -3.582  -2.616   1.306  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.772  -2.590   3.344  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -0.445  -2.471   4.086  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1        0.105  -1.148   3.569  0.00  0.00    +0.063 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.189  -1.815  -0.446  0.00  0.00    +0.040 A 
ATOM      9  N   LIG    1        1.330  -0.986   0.234  0.00  0.00    -0.344 N 
ATOM     10  H   LIG    1        1.155  -0.010   0.024  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        0.710  -1.724   1.213  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        1.163  -2.962   1.217  0.00  0.00    -0.239 NA
ATOM     13  C   LIG    1        2.074  -3.029   0.195  0.00  0.00    +0.134 A 
BRANCH   8  14
ATOM     14  C   LIG    1        2.999  -1.384  -1.621  0.00  0.00    +0.090 C 
BRANCH  14  18
ATOM     15  C   LIG    1        3.997   2.823  -1.448  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        4.782   1.878  -0.781  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.472   0.518  -0.847  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        3.369   0.082  -1.591  0.00  0.00    -0.041 A 
ATOM     19  C   LIG    1        2.581   1.033  -2.256  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        2.893   2.396  -2.184  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1        3.689   5.111  -2.017  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        4.407   4.119  -1.294  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  14  18
ENDBRANCH   8  14
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  O   LIG    1       -0.623  -2.417   5.493  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        0.255  -2.531   5.898  0.00  0.00    +0.210 HD
ENDBRANCH   6  23
BRANCH   3  25
ATOM     25  C   LIG    1       -2.230  -1.448  -0.318  0.00  0.00    +0.146 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.150   0.039  -0.266  0.00  0.00    +0.153 A 
ATOM     27  O   LIG    1       -1.076   0.592  -0.901  0.00  0.00    -0.355 OA
ATOM     28  N   LIG    1       -1.088   1.965  -0.723  0.00  0.00    -0.040 NA
ATOM     29  C   LIG    1       -2.191   2.213  -0.012  0.00  0.00    +0.255 A 
ATOM     30  C   LIG    1       -2.897   1.044   0.307  0.00  0.00    +0.115 A 
BRANCH  29  31
ATOM     31  O   LIG    1       -2.539   3.466   0.356  0.00  0.00    -0.478 OA
ATOM     32  C   LIG    1       -1.649   4.480  -0.096  0.00  0.00    +0.279 C 
ENDBRANCH  29  31
ENDBRANCH  25  26
BRANCH  25  33
ATOM     33  C   LIG    1       -3.214  -1.965  -1.405  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -2.633  -1.771  -2.813  0.00  0.00    +0.008 C 
ATOM     35  C   LIG    1       -4.621  -1.355  -1.352  0.00  0.00    +0.008 C 
ENDBRANCH  25  33
ENDBRANCH   3  25
TORSDOF 9