REMARK  Name = BDB065398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.097   0.149  -2.677  0.00  0.00    +0.102 A 
ATOM      2  N   LIG    1        2.662   1.234  -3.394  0.00  0.00    -0.133 NA
ATOM      3  N   LIG    1        1.352   1.344  -3.224  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1        0.965   0.349  -2.409  0.00  0.00    -0.251 N 
ATOM      5  C   LIG    1        2.018  -0.436  -2.049  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        4.529  -0.227  -2.664  0.00  0.00    +0.183 C 
BRANCH   6  11
ATOM      7  C   LIG    1        6.315  -0.419   1.829  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1        5.985   0.171   0.598  0.00  0.00    +0.147 A 
ATOM      9  N   LIG    1        6.165   1.445   0.095  0.00  0.00    -0.231 NA
ATOM     10  C   LIG    1        5.644   1.406  -1.114  0.00  0.00    +0.202 A 
ATOM     11  N   LIG    1        5.140   0.167  -1.412  0.00  0.00    -0.309 N 
ATOM     12  C   LIG    1        5.339  -0.637  -0.324  0.00  0.00    +0.166 A 
ATOM     13  N   LIG    1        4.986  -1.924  -0.174  0.00  0.00    -0.216 NA
ATOM     14  C   LIG    1        5.346  -2.378   1.045  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1        5.968  -1.710   2.041  0.00  0.00    -0.219 NA
BRANCH   7  16
ATOM     16  N   LIG    1        6.963   0.263   2.851  0.00  0.00    -0.341 N 
ATOM     17  H   LIG    1        6.892   1.271   2.770  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        6.798  -0.153   3.757  0.00  0.00    +0.144 HD
ENDBRANCH   7  16
ENDBRANCH   6  11
ENDBRANCH   1   6
BRANCH   4  19
ATOM     19  C   LIG    1       -0.423   0.213  -2.021  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.769   1.096  -0.823  0.00  0.00    +0.024 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.253   1.054  -0.450  0.00  0.00    +0.006 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.704  -0.309   0.080  0.00  0.00    +0.035 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.143  -0.279   0.534  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -4.460   0.027   1.865  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.792   0.072   2.285  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.824  -0.184   1.375  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -6.512  -0.484   0.044  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -5.180  -0.528  -0.374  0.00  0.00    +0.004 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -8.252  -0.149   1.772  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -9.201  -0.361   1.040  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -8.427   0.152   3.071  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -9.400   0.140   3.184  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 10