REMARK  Name = BDB052210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.239   1.708   1.218  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1        0.991   0.338   1.077  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -0.234  -0.050   0.569  0.00  0.00    +0.152 A 
ATOM      4  O   LIG    1       -0.657  -1.345   0.368  0.00  0.00    -0.458 OA
ATOM      5  C   LIG    1       -1.988  -1.275  -0.035  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -2.400   0.154  -0.361  0.00  0.00    +0.117 C 
ATOM      7  C   LIG    1       -2.535   0.377  -1.868  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1       -3.711   0.362   0.394  0.00  0.00    +0.169 C 
ATOM      9  O   LIG    1       -3.935   1.336   1.119  0.00  0.00    -0.295 OA
ATOM     10  C   LIG    1       -4.783  -0.697   0.221  0.00  0.00    +0.192 C 
ATOM     11  C   LIG    1       -4.254  -2.071  -0.125  0.00  0.00    +0.177 C 
ATOM     12  O   LIG    1       -4.992  -3.001  -0.440  0.00  0.00    -0.291 OA
ATOM     13  C   LIG    1       -2.806  -2.329   0.030  0.00  0.00    +0.090 C 
ATOM     14  C   LIG    1       -1.201   0.883   0.177  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -0.929   2.235   0.263  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1        0.293   2.657   0.788  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1        1.965  -0.678   1.489  0.00  0.00    +0.251 C 
ATOM     18  N   LIG    1        3.038  -0.939   0.678  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        3.614  -1.708   1.001  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        1.799  -1.278   2.546  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.252  -0.434  -0.661  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.604  -0.816  -1.179  0.00  0.00    -0.012 A 
ATOM     23  C   LIG    1        4.751  -1.766  -2.185  0.00  0.00    +0.115 A 
ATOM     24  N   LIG    1        5.943  -2.157  -2.690  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1        7.045  -1.578  -2.166  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        7.010  -0.627  -1.161  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.769  -0.242  -0.661  0.00  0.00    +0.008 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  17
BRANCH  10  28
ATOM     28  C   LIG    1       -5.865  -0.255  -0.729  0.00  0.00    +0.148 C 
ATOM     29  O   LIG    1       -5.605   0.346  -1.772  0.00  0.00    -0.296 OA
ATOM     30  C   LIG    1       -7.286  -0.603  -0.369  0.00  0.00    +0.087 C 
ENDBRANCH  10  28
BRANCH   1  32
ATOM     31  C   LIG    1        2.387   2.303   3.116  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        2.439   2.172   1.693  0.00  0.00    -0.494 OA
ENDBRANCH   1  32
BRANCH  15  33
ATOM     33  O   LIG    1       -1.846   3.122  -0.201  0.00  0.00    -0.506 OA
ATOM     34  H   LIG    1       -1.616   4.016   0.105  0.00  0.00    +0.292 HD
ENDBRANCH  15  33
TORSDOF 6