REMARK  Name = BDB028102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.723   0.454   0.936  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -1.743  -0.149   0.187  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -3.013  -0.177   0.734  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -4.249  -0.725   0.167  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -5.233  -0.582   1.135  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.763   0.192   2.276  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -4.348  -1.187  -0.953  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.309   0.359   1.984  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -2.315   0.950   2.742  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.018   0.989   2.213  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.657  -0.793   0.896  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -7.258   0.358   0.074  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.848   1.518   0.128  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -8.383   0.053  -0.657  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.796   0.819  -1.172  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -9.066  -1.136  -0.699  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1      -10.132  -1.232  -1.300  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.486  -2.279   0.102  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.980  -2.140   0.251  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.685   0.493   0.408  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1        3.440  -0.068  -0.152  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        2.850   0.449  -0.782  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1        2.800  -0.846   0.775  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        1.464  -0.612   0.917  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        1.054  -1.186   1.644  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1        3.304  -1.714   1.479  0.00  0.00    -0.252 OA
BRANCH  21  30
ATOM     27  C   LIG    1        7.546   0.152  -1.149  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1        7.141  -0.613  -0.054  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        5.789  -0.709   0.299  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        4.820  -0.035  -0.441  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        5.229   0.744  -1.531  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1        6.582   0.837  -1.883  0.00  0.00    +0.047 A 
BRANCH  27  33
ATOM     33  O   LIG    1        8.893   0.155  -1.373  0.00  0.00    -0.492 OA
BRANCH  33  35
ATOM     34  C   LIG    1        9.717   2.221  -2.335  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1        9.392   0.756  -2.566  0.00  0.00    +0.225 C 
ENDBRANCH  33  35
ENDBRANCH  27  33
ENDBRANCH  21  30
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 6