REMARK  Name = BDB007686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.435   1.031  -1.402  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.189  -0.244  -1.869  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.566  -1.043  -1.375  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.158   2.020  -1.818  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.385   0.440   0.889  0.00  0.00    +0.119 A 
ATOM      6  N   LIG    1       -3.257   1.463   1.757  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1       -2.250   2.343   1.572  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -1.323   2.243   0.557  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.435   1.164  -0.314  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -2.484   0.257  -0.155  0.00  0.00    +0.056 A 
BRANCH   5  11
ATOM     11  N   LIG    1       -4.407  -0.514   1.041  0.00  0.00    -0.328 N 
ATOM     12  H   LIG    1       -4.903  -0.591   0.149  0.00  0.00    +0.147 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.405  -0.203   2.073  0.00  0.00    +0.118 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -6.478   0.768   1.523  0.00  0.00    +0.102 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.781   1.461  -0.386  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1       -7.022   0.353   0.203  0.00  0.00    -0.307 NA
ATOM     17  C   LIG    1       -7.886  -0.824   0.327  0.00  0.00    +0.104 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  C   LIG    1        0.805  -0.484  -2.898  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.263  -0.350  -2.409  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.117  -0.335  -3.562  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        2.991   0.533  -3.987  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.641  -1.535  -1.483  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.912  -1.478  -0.737  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.929  -0.415   0.279  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.238  -0.336   1.039  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.417  -0.886   0.503  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.622  -0.773   1.208  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.664  -0.096   2.426  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.503   0.467   2.951  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.366  -1.652  -0.797  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.296   0.351   2.261  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        5.091  -1.364  -1.603  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 10