REMARK  Name = BDB037050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.186   1.160   1.220  0.00  0.00    +0.056 A 
ATOM      2  N   LIG    1       -2.061   0.122   1.078  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -3.216   0.426   0.454  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -4.349  -0.525   0.189  0.00  0.00    +0.165 C 
ATOM      5  N   LIG    1       -5.281   0.296  -0.579  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1       -4.862   1.618  -0.644  0.00  0.00    +0.249 C 
ATOM      7  O   LIG    1       -5.458   2.568  -1.114  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.536   1.682  -0.030  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -2.661   2.735   0.111  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -1.454   2.463   0.754  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.660  -0.092  -0.851  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -7.515  -0.116   0.427  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -7.162   0.355   1.506  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -8.744  -0.722   0.301  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -9.294  -0.748   1.150  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -9.078  -1.676  -0.627  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1      -10.041  -2.416  -0.455  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.216  -1.744  -1.866  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.760  -1.449  -1.541  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.132   0.867   1.922  0.00  0.00    +0.140 C 
BRANCH  20  25
ATOM     21  C   LIG    1        5.021  -0.779  -0.159  0.00  0.00    +0.403 C 
ATOM     22  N   LIG    1        3.863  -0.228   0.347  0.00  0.00    -0.265 N 
ATOM     23  C   LIG    1        3.840   1.008   1.127  0.00  0.00    +0.126 C 
ATOM     24  C   LIG    1        2.537   1.152   1.931  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        1.323   1.130   1.091  0.00  0.00    -0.294 NA
ATOM     26  C   LIG    1        1.441   0.178  -0.040  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1        2.575  -0.858   0.078  0.00  0.00    +0.126 C 
ATOM     28  O   LIG    1        5.051  -1.824  -0.796  0.00  0.00    -0.226 OA
BRANCH  21  29
ATOM     29  O   LIG    1        6.110  -0.023   0.133  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1        7.860  -1.748   0.315  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        7.434  -0.414  -0.309  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1        8.361   0.692   0.219  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        7.527  -0.439  -1.839  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 5