REMARK  Name = BDB029269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.435   1.196   0.078  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1       -0.220   0.900   1.429  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1       -1.545   0.251   1.072  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1       -1.885   0.943  -0.249  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1       -0.627   1.155  -0.926  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -2.766   0.147  -1.101  0.00  0.00    -0.303 N 
ATOM      7  C   LIG    1       -4.045  -0.221  -0.749  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1       -4.592  -0.943  -1.800  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -5.904  -1.407  -1.633  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1       -6.551  -1.127  -0.486  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1       -5.902  -0.423   0.459  0.00  0.00    +0.225 A 
ATOM     12  C   LIG    1       -3.598  -1.016  -2.813  0.00  0.00    +0.033 A 
ATOM     13  N   LIG    1       -4.646   0.065   0.422  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -2.488  -0.334  -2.359  0.00  0.00    +0.091 A 
BRANCH   9  15
ATOM     15  N   LIG    1       -6.592  -2.133  -2.593  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -6.314  -1.951  -3.548  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -7.588  -2.127  -2.405  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   1  19
ATOM     18  C   LIG    1        1.120  -1.250  -0.311  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        1.569   0.221  -0.372  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.918   0.399   0.334  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1        4.044  -0.299  -0.157  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        5.251  -0.149   0.486  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        6.694  -0.558   0.476  0.00  0.00    +0.040 C 
ATOM     24  C   LIG    1        6.858   0.365   1.729  0.00  0.00    +0.040 C 
ATOM     25  C   LIG    1        5.396   0.663   1.578  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        4.345   1.379   2.091  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.100   1.246   1.459  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
BRANCH  19  28
ATOM     28  O   LIG    1        1.815   0.502  -1.770  0.00  0.00    -0.382 OA
ATOM     29  H   LIG    1        0.955   0.777  -2.142  0.00  0.00    +0.211 HD
ENDBRANCH  19  28
ENDBRANCH   1  19
BRANCH   2  30
ATOM     30  O   LIG    1       -0.488   2.140   2.107  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1       -1.236   1.942   2.712  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1       -2.482   0.474   2.130  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -3.370   0.256   1.767  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 7