REMARK  Name = BDB008630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.796  -0.178  -2.456  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -1.516   0.405  -3.680  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        3.969  -0.390  -0.765  0.00  0.00    -0.264 N 
ATOM      4  C   LIG    1        2.818   0.143  -1.295  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        3.082   1.501  -1.443  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        2.082   2.344  -1.952  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        0.838   1.795  -2.292  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.573   0.425  -2.144  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1        4.409   1.659  -0.990  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1        1.581  -0.421  -1.639  0.00  0.00    +0.033 A 
ATOM     11  N   LIG    1        4.961   0.512  -0.589  0.00  0.00    -0.178 NA
BRANCH   3  12
ATOM     12  C   LIG    1        4.231  -1.782  -0.462  0.00  0.00    +0.146 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.538  -2.329   0.788  0.00  0.00    +0.051 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.808  -1.498   2.038  0.00  0.00    +0.161 C 
BRANCH  14  16
ATOM     15  C   LIG    1        3.221   0.549   3.049  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        2.867  -0.428   2.080  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  N   LIG    1       -1.645  -0.250  -1.243  0.00  0.00    -0.289 N 
ATOM     18  C   LIG    1       -2.171   0.937  -0.702  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -2.130   2.015  -1.301  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -2.800   0.853   0.708  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -4.093   0.230   0.658  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -4.681   0.161   1.963  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -4.819   1.555   2.592  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -3.528   2.261   2.669  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -2.907   1.746   3.293  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -2.928   2.272   1.313  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -1.585  -1.486  -0.487  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -2.818  -2.312  -0.222  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -1.763  -2.841  -1.135  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 8