REMARK  Name = BDB029255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.510  -0.394   1.842  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1       -0.678  -0.938   2.648  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1       -1.861  -0.715   1.716  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1       -1.468   0.615   1.067  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1       -0.034   0.551   0.886  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -2.103   0.840  -0.230  0.00  0.00    -0.303 N 
ATOM      7  C   LIG    1       -3.460   0.977  -0.411  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1       -3.698   1.209  -1.759  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -5.035   1.378  -2.145  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1       -5.998   1.304  -1.206  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1       -5.630   1.078   0.069  0.00  0.00    +0.225 A 
ATOM     12  C   LIG    1       -2.432   1.217  -2.405  0.00  0.00    +0.033 A 
ATOM     13  N   LIG    1       -4.390   0.890   0.558  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -1.470   0.993  -1.444  0.00  0.00    +0.091 A 
BRANCH   9  15
ATOM     15  N   LIG    1       -5.435   1.605  -3.453  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.823   1.225  -4.161  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -6.426   1.422  -3.563  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   1  19
ATOM     18  C   LIG    1        0.614  -2.283   0.080  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        1.383  -1.477   1.139  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.661  -0.830   0.581  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1        2.774  -0.447  -0.768  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        3.949   0.141  -1.183  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        4.658   0.735  -2.365  0.00  0.00    +0.040 C 
ATOM     24  C   LIG    1        5.854   0.992  -1.390  0.00  0.00    +0.040 C 
ATOM     25  C   LIG    1        4.995   0.372  -0.328  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        4.934   0.035   1.000  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.755  -0.565   1.454  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
BRANCH  19  28
ATOM     28  O   LIG    1        1.776  -2.449   2.129  0.00  0.00    -0.382 OA
ATOM     29  H   LIG    1        2.524  -2.948   1.750  0.00  0.00    +0.211 HD
ENDBRANCH  19  28
ENDBRANCH   1  19
BRANCH   2  30
ATOM     30  O   LIG    1       -0.841  -0.121   3.824  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1       -0.290  -0.516   4.522  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1       -3.101  -0.739   2.417  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -3.739  -0.202   1.902  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 7