REMARK  Name = BDB000851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.692  -0.896   0.176  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        2.342  -0.186  -0.050  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1        2.029   0.823   0.591  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        1.502  -0.723  -0.995  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1        1.743  -1.888  -1.842  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.501  -1.952  -2.749  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1       -0.022  -0.520  -2.765  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1        1.901  -3.195  -1.060  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1        3.237  -3.344  -0.339  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1        0.263  -0.040  -1.346  0.00  0.00    +0.162 C 
ATOM     11  C   LIG    1        3.493  -2.299   0.745  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        5.364   0.854   0.660  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1        4.455  -0.077   1.122  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1        3.943   0.182   1.958  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        5.769   0.878  -0.502  0.00  0.00    -0.274 OA
BRANCH  12  17
ATOM     16  C   LIG    1        4.771   2.850   2.092  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1        5.861   1.847   1.734  0.00  0.00    +0.135 C 
BRANCH  17  18
ATOM     18  N   LIG    1        7.050   2.569   1.237  0.00  0.00    -0.320 NA
ATOM     19  H   LIG    1        6.785   3.019   0.357  0.00  0.00    +0.119 HD
ATOM     20  H   LIG    1        7.735   1.868   0.943  0.00  0.00    +0.119 HD
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1       -0.886  -0.413  -0.385  0.00  0.00    +0.234 C 
ATOM     22  N   LIG    1       -1.981   0.419  -0.484  0.00  0.00    -0.303 N 
ATOM     23  H   LIG    1       -1.918   1.273  -1.019  0.00  0.00    +0.150 HD
ATOM     24  O   LIG    1       -0.853  -1.390   0.361  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.164   0.236   0.340  0.00  0.00    +0.134 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.210  -0.655  -0.326  0.00  0.00    -0.023 A 
ATOM     27  C   LIG    1       -5.149  -1.325   0.478  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -6.135  -2.133  -0.091  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.202  -2.281  -1.474  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.285  -1.621  -2.288  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.298  -0.812  -1.720  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -3.680   1.609   0.761  0.00  0.00    -0.023 A 
ATOM     33  C   LIG    1       -4.627   2.326   0.011  0.00  0.00    +0.006 A 
ATOM     34  C   LIG    1       -5.041   3.598   0.414  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.506   4.177   1.562  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1       -3.554   3.488   2.309  0.00  0.00    +0.000 A 
ATOM     37  C   LIG    1       -3.141   2.216   1.909  0.00  0.00    +0.006 A 
ENDBRANCH  25  32
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 7