REMARK  Name = BDB037042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.030   2.237  -0.858  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        2.147   1.412  -0.706  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1        2.341   0.115   0.018  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1        3.712  -0.258  -0.290  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        4.373   0.743  -0.976  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        5.551   0.812  -1.264  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        3.372   1.766  -1.296  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        3.562   2.906  -2.052  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.460   3.728  -2.241  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.223   3.394  -1.661  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        4.375  -1.352   0.413  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.023  -0.860   1.717  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        4.578   0.071   2.386  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.085  -1.603   2.180  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.490  -1.298   3.054  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        6.597  -2.763   1.653  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.465  -3.396   2.245  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        5.973  -3.257   0.368  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        5.392  -2.108  -0.441  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  24
ATOM     20  C   LIG    1       -3.875  -0.314   0.700  0.00  0.00    +0.403 C 
ATOM     21  N   LIG    1       -2.763   0.447   0.354  0.00  0.00    -0.267 N 
ATOM     22  C   LIG    1       -1.898   0.908   1.431  0.00  0.00    +0.114 C 
ATOM     23  C   LIG    1       -0.457   1.075   0.953  0.00  0.00    +0.058 C 
ATOM     24  C   LIG    1       -0.368   1.993  -0.277  0.00  0.00    +0.094 C 
ATOM     25  C   LIG    1       -1.296   1.447  -1.377  0.00  0.00    +0.058 C 
ATOM     26  C   LIG    1       -2.723   1.230  -0.877  0.00  0.00    +0.114 C 
ATOM     27  O   LIG    1       -4.048  -0.789   1.815  0.00  0.00    -0.226 OA
BRANCH  24  28
ATOM     28  O   LIG    1       -0.880   3.270   0.145  0.00  0.00    -0.384 OA
ATOM     29  H   LIG    1       -0.166   3.724   0.629  0.00  0.00    +0.211 HD
ENDBRANCH  24  28
BRANCH  20  30
ATOM     30  O   LIG    1       -4.732  -0.472  -0.341  0.00  0.00    -0.445 OA
BRANCH  30  32
ATOM     31  C   LIG    1       -6.624  -1.164  -1.578  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -5.958  -1.234  -0.195  0.00  0.00    +0.107 C 
ATOM     33  C   LIG    1       -6.897  -0.591   0.832  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1       -5.668  -2.703   0.133  0.00  0.00    +0.055 C 
ENDBRANCH  30  32
ENDBRANCH  20  30
ENDBRANCH   1  24
TORSDOF 5