REMARK  Name = BDB062209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.729  -2.477  -0.781  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -3.468  -2.199  -0.425  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1       -2.342  -3.116  -0.751  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1       -2.366  -4.181  -1.331  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -1.279  -2.464  -0.218  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -0.347  -2.838  -0.190  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.706  -1.321   0.373  0.00  0.00    +0.192 C 
ATOM      8  N   LIG    1       -2.989  -1.118   0.285  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -7.064   0.474  -0.269  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -8.257  -0.215  -0.031  0.00  0.00    +0.158 A 
ATOM     11  C   LIG    1       -8.308  -1.601  -0.030  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -7.140  -2.325  -0.268  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -5.922  -1.665  -0.497  0.00  0.00    -0.019 A 
ATOM     14  C   LIG    1       -5.899  -0.259  -0.510  0.00  0.00    +0.057 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -5.964   2.574  -0.434  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -7.170   1.842  -0.245  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1       -9.415   0.475   0.205  0.00  0.00    -0.503 OA
ATOM     18  H   LIG    1       -9.158   1.417   0.158  0.00  0.00    +0.292 HD
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   7  19
ATOM     19  N   LIG    1       -0.864  -0.489   1.043  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1       -1.340   0.255   1.542  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.492  -0.220   0.801  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        1.148  -0.532  -0.388  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.519  -0.276  -0.548  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        3.299   0.289   0.470  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        2.626   0.594   1.661  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        1.255   0.345   1.826  0.00  0.00    +0.025 A 
BRANCH  24  27
ATOM     27  N   LIG    1        4.650   0.539   0.310  0.00  0.00    -0.327 N 
ATOM     28  C   LIG    1        5.283   0.586  -1.020  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1        6.570   1.443  -0.979  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        7.604   0.938  -0.051  0.00  0.00    -0.302 NA
ATOM     31  C   LIG    1        8.493   2.019   0.365  0.00  0.00    +0.105 C 
ATOM     32  C   LIG    1        6.997   0.248   1.107  0.00  0.00    +0.103 C 
ATOM     33  C   LIG    1        5.553   0.674   1.466  0.00  0.00    +0.120 C 
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6