REMARK  Name = BDB008600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.124  -1.776   1.676  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -1.919  -3.017   2.103  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        3.493  -0.098   0.507  0.00  0.00    -0.346 N 
ATOM      4  C   LIG    1        2.509  -1.021   0.791  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.083  -2.285   0.645  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        2.276  -3.420   0.858  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        0.924  -3.266   1.194  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.350  -1.998   1.332  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1        4.456  -2.100   0.288  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        5.456  -3.169   0.037  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        1.160  -0.858   1.147  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        4.670  -0.739   0.217  0.00  0.00    +0.090 A 
BRANCH   3  13
ATOM     13  C   LIG    1        3.339   1.346   0.518  0.00  0.00    +0.124 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.125   1.952  -0.867  0.00  0.00    +0.049 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.809   1.529  -1.517  0.00  0.00    +0.161 C 
BRANCH  15  17
ATOM     16  C   LIG    1        1.005   3.453  -2.656  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        1.641   2.188  -2.774  0.00  0.00    -0.383 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1       -1.859  -1.020   0.634  0.00  0.00    -0.290 N 
ATOM     19  C   LIG    1       -2.756  -0.033   1.075  0.00  0.00    +0.235 C 
ATOM     20  O   LIG    1       -3.062   0.076   2.267  0.00  0.00    -0.274 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -3.326   0.943   0.013  0.00  0.00    +0.155 C 
ATOM     22  N   LIG    1       -2.239   1.862  -0.470  0.00  0.00    -0.303 NA
ATOM     23  H   LIG    1       -2.488   2.136  -1.421  0.00  0.00    +0.123 HD
ATOM     24  C   LIG    1       -2.237   3.089   0.347  0.00  0.00    +0.096 C 
ATOM     25  C   LIG    1       -3.574   3.867   0.261  0.00  0.00    +0.096 C 
ATOM     26  N   LIG    1       -4.744   3.033  -0.077  0.00  0.00    -0.313 NA
ATOM     27  H   LIG    1       -4.760   2.897  -1.087  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -4.572   1.706   0.556  0.00  0.00    +0.109 C 
ENDBRANCH  19  21
BRANCH  18  29
ATOM     29  C   LIG    1       -1.536  -1.226  -0.763  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1       -2.554  -1.795  -1.724  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -1.328  -2.580  -1.395  0.00  0.00    +0.024 C 
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 8