REMARK  Name = BDB008660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.620  -1.516   1.409  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1        1.573  -1.076   2.730  0.00  0.00    +0.218 A 
ATOM      3  N   LIG    1        0.442  -1.036   3.465  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -0.700  -1.445   2.865  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -0.777  -1.917   1.560  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        0.417  -1.932   0.826  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   2   7
ATOM      7  O   LIG    1        2.760  -0.654   3.298  0.00  0.00    -0.479 OA
ATOM      8  C   LIG    1        2.613  -0.220   4.646  0.00  0.00    +0.279 C 
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  C   LIG    1       -2.073  -2.380   0.917  0.00  0.00    +0.105 C 
ATOM     10  C   LIG    1       -3.071  -3.068   1.859  0.00  0.00    +0.033 C 
BRANCH   9  11
ATOM     11  N   LIG    1       -2.696  -1.321   0.094  0.00  0.00    -0.289 N 
ATOM     12  C   LIG    1       -3.218  -0.177   0.719  0.00  0.00    +0.246 C 
ATOM     13  O   LIG    1       -3.352  -0.104   1.944  0.00  0.00    -0.273 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -3.643   1.000  -0.192  0.00  0.00    +0.217 C 
ATOM     15  O   LIG    1       -2.514   1.488  -0.941  0.00  0.00    -0.365 OA
ATOM     16  C   LIG    1       -2.518   2.907  -1.134  0.00  0.00    +0.176 C 
ATOM     17  C   LIG    1       -3.932   3.475  -1.310  0.00  0.00    +0.109 C 
ATOM     18  N   LIG    1       -4.800   3.244  -0.145  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1       -4.820   4.074   0.448  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -4.307   2.107   0.661  0.00  0.00    +0.122 C 
ENDBRANCH  12  14
BRANCH  11  21
ATOM     21  C   LIG    1       -2.528  -1.421  -1.340  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1       -3.717  -1.528  -2.264  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -2.802  -2.697  -2.103  0.00  0.00    +0.024 C 
ENDBRANCH  11  21
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  24
ATOM     24  C   LIG    1        2.897  -1.525   0.611  0.00  0.00    +0.042 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.200  -0.154   0.005  0.00  0.00    +0.024 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.499  -0.184  -0.790  0.00  0.00    +0.108 C 
BRANCH  26  28
ATOM     27  C   LIG    1        5.676   1.243  -2.399  0.00  0.00    +0.400 C 
ATOM     28  N   LIG    1        4.791   1.105  -1.372  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1        4.641   1.948  -0.835  0.00  0.00    +0.152 HD
ATOM     30  O   LIG    1        6.171   0.328  -3.038  0.00  0.00    -0.226 OA
BRANCH  27  32
ATOM     31  C   LIG    1        6.853   2.825  -3.643  0.00  0.00    +0.282 C 
ATOM     32  O   LIG    1        5.931   2.561  -2.585  0.00  0.00    -0.454 OA
ENDBRANCH  27  32
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10