REMARK  Name = BDB059704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.681   1.842   1.827  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        1.960   0.651   1.653  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        0.623   0.560   2.053  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.009   1.668   2.620  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        0.701   2.851   2.821  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        2.037   2.940   2.419  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.935   1.355   0.604  0.00  0.00    +0.248 A 
ATOM      8  O   LIG    1        6.068   2.648   1.007  0.00  0.00    -0.336 OA
ATOM      9  N   LIG    1        4.837   3.025   1.537  0.00  0.00    -0.056 NA
ATOM     10  C   LIG    1        4.076   1.925   1.404  0.00  0.00    +0.202 A 
ATOM     11  N   LIG    1        4.734   0.860   0.821  0.00  0.00    -0.190 NA
BRANCH   7  12
ATOM     12  C   LIG    1        7.136   0.710  -0.004  0.00  0.00    +0.159 C 
ATOM     13  C   LIG    1        8.060   0.170   1.085  0.00  0.00    +0.038 C 
BRANCH  12  16
ATOM     14  C   LIG    1        6.862  -1.998  -2.657  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        7.479  -0.869  -1.877  0.00  0.00    +0.211 C 
ATOM     16  N   LIG    1        6.684  -0.363  -0.882  0.00  0.00    -0.304 N 
ATOM     17  H   LIG    1        5.782  -0.781  -0.679  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        8.605  -0.446  -2.117  0.00  0.00    -0.276 OA
ENDBRANCH  12  16
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  O   LIG    1       -1.310   1.636   3.068  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.251   1.092   2.225  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1       -3.146   0.178   2.774  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -4.142  -0.382   1.972  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -4.262  -0.021   0.626  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -3.376   0.915   0.087  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -2.375   1.477   0.888  0.00  0.00    +0.050 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -5.279  -0.645  -0.040  0.00  0.00    -0.487 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.460  -0.309  -1.415  0.00  0.00    +0.264 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.649  -1.072  -1.951  0.00  0.00    -0.010 A 
ATOM     29  C   LIG    1       -7.908  -0.938  -1.347  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -9.014  -1.625  -1.850  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.874  -2.449  -2.965  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.630  -2.588  -3.576  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.522  -1.902  -3.074  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 8