REMARK  Name = BDB060086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.367  -1.810   1.089  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -0.392  -0.852   0.721  0.00  0.00    +0.131 A 
ATOM      3  N   LIG    1        0.919  -1.005   0.327  0.00  0.00    -0.225 NA
ATOM      4  C   LIG    1        1.390   0.203   0.084  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        0.426   1.150   0.354  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1        0.595   2.581   0.257  0.00  0.00    +0.150 C 
ATOM      7  C   LIG    1       -0.727   0.502   0.739  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -2.001   0.963   1.098  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -2.957  -0.003   1.439  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -2.643  -1.361   1.458  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -1.215  -3.191   1.141  0.00  0.00    -0.490 OA
BRANCH  11  12
ATOM     12  C   LIG    1        0.047  -3.689   0.689  0.00  0.00    +0.229 C 
BRANCH  12  14
ATOM     13  C   LIG    1        1.300  -5.843   0.309  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -0.005  -5.213   0.760  0.00  0.00    +0.038 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   4  15
ATOM     15  C   LIG    1        2.780   0.536  -0.371  0.00  0.00    +0.303 C 
BRANCH  15  16
ATOM     16  O   LIG    1        3.210  -0.513  -1.240  0.00  0.00    -0.484 OA
BRANCH  16  17
ATOM     17  C   LIG    1        4.519  -0.495  -1.636  0.00  0.00    +0.122 A 
ATOM     18  C   LIG    1        5.422   0.549  -1.434  0.00  0.00    +0.060 A 
ATOM     19  C   LIG    1        6.744   0.436  -1.893  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        7.158  -0.724  -2.559  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        6.253  -1.764  -2.767  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.940  -1.645  -2.309  0.00  0.00    +0.046 A 
BRANCH  19  23
ATOM     23  C   LIG    1        7.664   1.574  -1.651  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        7.362   2.628  -1.120  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        8.915   1.338  -2.083  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        9.404   2.156  -1.855  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
BRANCH   9  27
ATOM     27  O   LIG    1       -4.232   0.343   1.837  0.00  0.00    -0.454 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.905   1.243   1.046  0.00  0.00    +0.149 A 
ATOM     29  C   LIG    1       -5.514   2.349   1.638  0.00  0.00    +0.081 A 
ATOM     30  C   LIG    1       -5.419   2.579   3.117  0.00  0.00    +0.069 C 
ATOM     31  N   LIG    1       -6.211   3.269   0.920  0.00  0.00    -0.253 NA
ATOM     32  C   LIG    1       -6.332   3.077  -0.415  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -7.119   4.094  -1.187  0.00  0.00    +0.065 C 
ATOM     34  C   LIG    1       -5.777   1.982  -1.069  0.00  0.00    +0.026 A 
ATOM     35  C   LIG    1       -5.057   1.050  -0.326  0.00  0.00    +0.050 A 
ENDBRANCH  27  28
ENDBRANCH   9  27
TORSDOF 10