REMARK  Name = BDB064675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.977   0.564  -0.133  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.870   1.909   0.163  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        0.413   2.620   0.043  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        0.072   4.107   0.235  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -1.448   4.173   0.136  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.910   2.811   0.639  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        0.013  -0.059  -0.524  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.382   2.123   1.142  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.129   1.028   0.757  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        1.694   0.460   0.029  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.417   2.588   2.278  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.908   0.306   1.733  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.734  -0.760   1.066  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        3.196  -2.038   0.847  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        3.947  -3.023   0.200  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        5.238  -2.736  -0.250  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        5.776  -1.461  -0.044  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1        5.025  -0.476   0.603  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1        6.007  -3.741  -0.923  0.00  0.00    +0.099 C 
ATOM     20  N   LIG    1        6.633  -4.550  -1.470  0.00  0.00    -0.191 NA
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  21
ATOM     21  O   LIG    1       -1.831   4.361  -1.227  0.00  0.00    -0.390 OA
ATOM     22  H   LIG    1       -1.605   3.554  -1.722  0.00  0.00    +0.210 HD
ENDBRANCH   5  21
BRANCH   1  23
ATOM     23  C   LIG    1       -2.364  -0.119   0.052  0.00  0.00    +0.164 C 
BRANCH  23  26
ATOM     24  C   LIG    1       -2.208   0.087  -3.107  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -3.432   0.305  -2.267  0.00  0.00    +0.211 C 
ATOM     26  N   LIG    1       -3.364   0.368  -0.913  0.00  0.00    -0.304 N 
ATOM     27  H   LIG    1       -4.296   0.510  -0.539  0.00  0.00    +0.149 HD
ATOM     28  O   LIG    1       -4.527   0.503  -2.794  0.00  0.00    -0.276 OA
ENDBRANCH  23  26
BRANCH  23  29
ATOM     29  C   LIG    1       -2.366  -1.673   0.264  0.00  0.00    -0.011 C 
ATOM     30  C   LIG    1       -1.909  -2.488  -0.956  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -3.799  -2.135   0.624  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -1.459  -2.034   1.463  0.00  0.00    +0.013 C 
ENDBRANCH  23  29
ENDBRANCH   1  23
TORSDOF 8