REMARK  Name = BDB031157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.702  -2.869   0.149  0.00  0.00    +0.144 C 
ATOM      2  N   LIG    1       -0.692  -2.417   0.251  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.026  -1.242   0.908  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.147  -0.545   1.427  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.605  -3.528  -0.017  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -0.734  -4.784   0.071  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1        0.619  -4.297  -0.412  0.00  0.00    +0.063 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.531  -0.083  -1.383  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        1.837  -0.692  -0.366  0.00  0.00    -0.340 N 
ATOM     10  H   LIG    1        1.540  -0.273   0.509  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        1.498  -1.967  -0.751  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        1.979  -2.223  -1.952  0.00  0.00    -0.238 NA
ATOM     13  C   LIG    1        2.616  -1.072  -2.346  0.00  0.00    +0.139 A 
BRANCH   8  16
ATOM     14  C   LIG    1        4.606   2.992  -2.077  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        4.130   1.678  -2.109  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        3.018   1.295  -1.339  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        2.387   2.259  -0.539  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        2.858   3.572  -0.505  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.964   3.933  -1.272  0.00  0.00    +0.045 A 
BRANCH  14  21
ATOM     20  C   LIG    1        6.373   2.561  -3.611  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.677   3.478  -2.776  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   8  16
ENDBRANCH   1  11
BRANCH   6  22
ATOM     22  O   LIG    1       -0.641  -5.219   1.427  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1       -0.082  -6.016   1.442  0.00  0.00    +0.210 HD
ENDBRANCH   6  22
BRANCH   3  24
ATOM     24  C   LIG    1       -2.502  -0.796   0.861  0.00  0.00    +0.146 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.809   0.181   1.953  0.00  0.00    +0.153 A 
ATOM     26  O   LIG    1       -3.963  -0.058   2.646  0.00  0.00    -0.355 OA
ATOM     27  N   LIG    1       -4.140   0.922   3.610  0.00  0.00    -0.040 NA
ATOM     28  C   LIG    1       -3.086   1.729   3.480  0.00  0.00    +0.255 A 
ATOM     29  C   LIG    1       -2.220   1.319   2.457  0.00  0.00    +0.115 A 
BRANCH  28  30
ATOM     30  O   LIG    1       -2.913   2.817   4.263  0.00  0.00    -0.478 OA
ATOM     31  C   LIG    1       -3.936   3.006   5.235  0.00  0.00    +0.279 C 
ENDBRANCH  28  30
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  C   LIG    1       -2.875  -0.284  -0.556  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -4.387  -0.080  -0.705  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -2.132   0.988  -0.978  0.00  0.00    +0.008 C 
ENDBRANCH  24  32
ENDBRANCH   3  24
TORSDOF 8