REMARK  Name = BDB051040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.445  -0.181  -0.158  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.181  -0.069  -0.793  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -1.015  -0.436  -2.250  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -0.070   0.452  -0.074  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -0.223   0.851   1.271  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.477   0.717   1.846  0.00  0.00    +0.137 A 
ATOM      7  O   LIG    1       -1.458   1.144   3.139  0.00  0.00    -0.463 OA
ATOM      8  C   LIG    1       -0.196   1.571   3.398  0.00  0.00    +0.196 A 
ATOM      9  C   LIG    1        0.600   1.420   2.287  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -2.594   0.218   1.185  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.258   0.610  -0.715  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1        2.300   0.014  -0.039  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        2.063  -0.692   0.653  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        1.377   1.206  -1.777  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        3.611  -0.089  -0.641  0.00  0.00    +0.149 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.651  -0.271   0.417  0.00  0.00    +0.075 A 
ATOM     17  C   LIG    1        4.566  -1.504   1.256  0.00  0.00    +0.257 A 
ATOM     18  O   LIG    1        3.661  -2.322   1.116  0.00  0.00    -0.267 OA
ATOM     19  N   LIG    1        5.540  -1.672   2.210  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        5.455  -2.510   2.773  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        6.551  -0.775   2.459  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        7.495  -1.097   3.575  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1        6.631   0.335   1.710  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1        5.681   0.565   0.644  0.00  0.00    +0.132 A 
BRANCH  24  25
ATOM     25  O   LIG    1        5.852   1.745  -0.048  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1        6.799   1.595  -1.106  0.00  0.00    +0.277 C 
ENDBRANCH  24  25
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   4  11
BRANCH   1  27
ATOM     27  N   LIG    1       -3.546  -0.704  -0.879  0.00  0.00    -0.327 N 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.812   0.082  -0.851  0.00  0.00    +0.078 C 
ATOM     29  C   LIG    1       -4.579   1.555  -1.221  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -5.887   2.339  -1.142  0.00  0.00    +0.161 C 
ATOM     31  O   LIG    1       -7.043   1.522  -1.327  0.00  0.00    -0.380 OA
ATOM     32  C   LIG    1       -6.841   0.537  -2.331  0.00  0.00    +0.161 C 
ATOM     33  C   LIG    1       -5.831  -0.500  -1.853  0.00  0.00    +0.050 C 
ENDBRANCH  27  28
BRANCH  27  35
ATOM     34  C   LIG    1       -4.271  -2.656   0.554  0.00  0.00    +0.024 C 
ATOM     35  C   LIG    1       -3.631  -2.178  -0.743  0.00  0.00    +0.102 C 
ENDBRANCH  27  35
ENDBRANCH   1  27
TORSDOF 7