REMARK  Name = BDB006987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.507   1.233   1.058  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.777  -0.103   1.303  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        2.056  -0.680   1.382  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        1.975  -2.043   1.635  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1        3.031  -2.870   1.765  0.00  0.00    -0.257 NA
ATOM      6  C   LIG    1        4.241  -2.280   1.619  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        4.435  -0.915   1.371  0.00  0.00    -0.023 A 
ATOM      8  C   LIG    1        0.537  -2.493   1.780  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1        0.257  -2.942   3.217  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        0.199  -3.607   0.787  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1        3.302  -0.098   1.249  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -0.221  -1.184   1.442  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1        1.371   2.099   0.895  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -0.976   1.637   0.998  0.00  0.00    +0.181 C 
BRANCH  14  21
ATOM     15  C   LIG    1       -0.496  -0.007  -3.172  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -1.584   0.970  -2.716  0.00  0.00    +0.065 C 
ATOM     17  N   LIG    1       -2.834   0.194  -2.509  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1       -2.573  -0.659  -2.009  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -3.723   0.946  -1.606  0.00  0.00    +0.101 C 
ATOM     20  C   LIG    1       -3.116   1.158  -0.181  0.00  0.00    +0.088 C 
ATOM     21  N   LIG    1       -1.623   1.129  -0.220  0.00  0.00    -0.287 NA
ATOM     22  C   LIG    1       -1.120   1.760  -1.453  0.00  0.00    +0.103 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.767   2.409   0.480  0.00  0.00    +0.128 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.206   2.305   0.683  0.00  0.00    -0.300 N 
ATOM     25  C   LIG    1       -5.789   1.432   1.590  0.00  0.00    +0.216 C 
ATOM     26  O   LIG    1       -5.202   0.701   2.371  0.00  0.00    -0.276 OA
ATOM     27  C   LIG    1       -7.284   1.496   1.394  0.00  0.00    +0.097 C 
ATOM     28  C   LIG    1       -7.470   2.779   0.591  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1       -6.179   2.905  -0.195  0.00  0.00    +0.108 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   7  30
ATOM     30  C   LIG    1        5.824  -0.349   1.226  0.00  0.00    +0.071 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.505  -0.734  -0.067  0.00  0.00    -0.043 A 
ATOM     32  C   LIG    1        6.092  -0.170  -1.283  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        6.713  -0.532  -2.479  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.753  -1.460  -2.472  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        8.171  -2.028  -1.270  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1        7.551  -1.668  -0.073  0.00  0.00    +0.004 A 
ENDBRANCH  30  31
ENDBRANCH   7  30
TORSDOF 6