REMARK  Name = BDB050586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.082  -2.272  -0.348  0.00  0.00    +0.016 A 
ATOM      2  C   LIG    1       -1.226  -3.634  -0.745  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -2.334  -4.375  -0.255  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -2.516  -5.713  -0.643  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -1.615  -6.342  -1.498  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.514  -5.642  -1.971  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.245  -3.779   0.629  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.078  -2.463   1.049  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -0.322  -4.310  -1.597  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.012  -1.717   0.555  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        0.042  -1.386  -0.858  0.00  0.00    +0.120 C 
BRANCH  11  12
ATOM     12  N   LIG    1        1.169  -1.383   0.076  0.00  0.00    -0.309 NA
ATOM     13  H   LIG    1        0.792  -1.184   1.003  0.00  0.00    +0.122 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.174  -0.352  -0.258  0.00  0.00    +0.117 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.722   1.115  -0.016  0.00  0.00    +0.158 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.898   2.052   0.163  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        3.198   2.573   1.430  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        4.286   3.430   1.605  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.086   3.775   0.517  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.799   3.264  -0.747  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.712   2.406  -0.924  0.00  0.00    +0.006 A 
ENDBRANCH  15  16
BRANCH  15  22
ATOM     22  O   LIG    1        0.948   1.586  -1.121  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1        0.539   2.417  -0.819  0.00  0.00    +0.210 HD
ENDBRANCH  15  22
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH  10  24
ATOM     24  O   LIG    1       -1.796  -0.443   1.019  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.842   0.458   0.634  0.00  0.00    +0.264 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.277   1.859   0.629  0.00  0.00    -0.010 A 
ATOM     27  C   LIG    1       -2.365   2.661  -0.518  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -1.835   3.954  -0.522  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.214   4.457   0.619  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.126   3.673   1.768  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.659   2.383   1.774  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 9