REMARK  Name = BDB060595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.732  -0.019  -1.777  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1        1.703  -1.399  -1.105  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.453  -1.304  -0.251  0.00  0.00    +0.177 C 
ATOM      4  C   LIG    1       -0.472  -0.514  -1.173  0.00  0.00    +0.166 C 
ATOM      5  O   LIG    1        0.364   0.481  -1.794  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        5.680   2.154  -0.024  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1        4.305   1.981  -0.252  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1        3.193   2.693   0.149  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        2.173   2.053  -0.386  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1        2.570   0.941  -1.080  0.00  0.00    -0.286 N 
ATOM     11  C   LIG    1        3.936   0.883  -1.011  0.00  0.00    +0.167 A 
ATOM     12  N   LIG    1        4.744  -0.044  -1.549  0.00  0.00    -0.216 NA
ATOM     13  C   LIG    1        6.035   0.220  -1.259  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        6.539   1.241  -0.532  0.00  0.00    -0.219 NA
BRANCH   6  15
ATOM     15  N   LIG    1        6.202   3.205   0.718  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1        7.120   2.997   1.088  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        5.527   3.642   1.335  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1        1.525  -2.442  -2.079  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1        1.131  -3.188  -1.579  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -0.044  -2.594   0.088  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1       -0.922  -2.439   0.498  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1       -1.635   0.157  -0.420  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.495  -0.819   0.256  0.00  0.00    -0.292 NA
ATOM     24  C   LIG    1       -3.422  -0.312   1.294  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -2.690   0.134   2.579  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1       -3.611   1.295   2.641  0.00  0.00    -0.312 NA
ATOM     27  H   LIG    1       -3.179   2.170   2.935  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -3.852   1.174   1.181  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1       -4.511  -1.358   1.413  0.00  0.00    +0.026 C 
ATOM     30  C   LIG    1       -4.720  -1.742  -0.038  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -3.347  -1.576  -0.688  0.00  0.00    +0.085 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6