REMARK  Name = BDB061995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.838  -0.066   0.506  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        0.106   0.393   1.435  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        1.445  -0.020   1.365  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.861  -0.899   0.366  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.926  -1.365  -0.558  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.409  -0.956  -0.488  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -5.707   0.313  -0.278  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -4.377   0.475   0.153  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1       -4.094   1.488   1.066  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1       -2.742   1.390   1.277  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1       -2.198   2.000   1.866  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1       -2.247   0.341   0.538  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1       -5.059   2.358   1.582  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -6.375   2.178   1.143  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1       -3.229  -0.224  -0.141  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1       -6.700   1.173   0.228  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -7.184  -1.459  -0.982  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -7.562  -1.492  -0.046  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.332  -2.265  -1.576  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -6.056  -0.731  -1.260  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -5.405  -0.942  -2.272  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  O   LIG    1        3.130  -1.373   0.186  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.125  -0.948   1.117  0.00  0.00    +0.229 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.459  -1.581   0.719  0.00  0.00    +0.050 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.930  -1.159  -0.674  0.00  0.00    +0.101 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.359   0.291  -0.736  0.00  0.00    +0.236 C 
ATOM     27  N   LIG    1        6.588   0.742  -2.015  0.00  0.00    -0.197 N 
ATOM     28  H   LIG    1        6.806   0.111  -2.780  0.00  0.00    +0.182 HD
ATOM     29  O   LIG    1        6.514   1.013   0.247  0.00  0.00    -0.274 OA
BRANCH  27  30
ATOM     30  O   LIG    1        7.135   2.044  -2.106  0.00  0.00    -0.295 OA
ATOM     31  H   LIG    1        7.165   2.326  -1.165  0.00  0.00    +0.241 HD
ENDBRANCH  27  30
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8