REMARK  Name = BDB012210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.130   0.153  -0.009  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.308   1.037  -0.227  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.056   0.841  -0.186  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -1.651   1.660  -0.191  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.626  -0.432   0.242  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.078  -0.575  -0.223  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -3.962  -0.189   0.976  0.00  0.00    +0.175 C 
ATOM      8  C   LIG    1       -2.991   0.228   2.087  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -1.708  -0.524   1.763  0.00  0.00    +0.026 C 
BRANCH   7  10
ATOM     10  O   LIG    1       -4.688  -1.328   1.448  0.00  0.00    -0.489 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -5.912  -1.586   0.896  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -6.417  -1.031  -0.281  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -7.689  -1.391  -0.738  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -8.459  -2.309  -0.025  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.955  -2.876   1.143  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -6.685  -2.517   1.598  0.00  0.00    +0.045 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1        0.694   2.457  -0.604  0.00  0.00    +0.096 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.205   2.690  -0.563  0.00  0.00    +0.017 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.957   1.935  -1.667  0.00  0.00    +0.075 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.140   1.177  -1.110  0.00  0.00    +0.110 A 
ATOM     21  N   LIG    1        3.845   0.079  -0.347  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.872  -0.170  -0.159  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1        4.801  -0.701   0.252  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1        4.528  -1.666   0.955  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        6.194  -0.297  -0.004  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1        6.404   0.832  -0.801  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        7.717   1.231  -1.058  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        8.796   0.515  -0.529  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        8.570  -0.611   0.265  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.265  -1.020   0.532  0.00  0.00    +0.015 A 
ATOM     31  N   LIG    1        5.347   1.578  -1.351  0.00  0.00    -0.234 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7