REMARK  Name = BDB027960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.851   1.070   0.505  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        2.103   0.415   0.470  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.246   0.902   1.124  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        3.106   2.073   1.876  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        1.897   2.762   1.913  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.788   2.269   1.223  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.848  -0.865   0.232  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1       -2.794  -0.227   0.866  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.500   1.193   0.649  0.00  0.00    +0.130 C 
ATOM     10  C   LIG    1       -1.442   1.353  -0.465  0.00  0.00    +0.124 C 
ATOM     11  N   LIG    1       -0.236   0.532  -0.191  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -0.555  -0.900   0.076  0.00  0.00    +0.124 C 
ATOM     13  C   LIG    1       -1.609  -1.020   1.199  0.00  0.00    +0.130 C 
ATOM     14  O   LIG    1       -3.939  -2.081   0.132  0.00  0.00    -0.226 OA
BRANCH   7  15
ATOM     15  O   LIG    1       -4.752   0.016  -0.267  0.00  0.00    -0.445 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -5.552  -1.190  -2.260  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -5.931  -0.442  -0.978  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1       -6.673   0.847  -1.365  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1       -6.842  -1.276  -0.072  0.00  0.00    +0.055 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  N   LIG    1        4.476   0.237   1.176  0.00  0.00    -0.333 N 
ATOM     21  H   LIG    1        5.234   0.905   1.289  0.00  0.00    +0.147 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.788  -0.884   0.275  0.00  0.00    +0.158 C 
ATOM     23  C   LIG    1        5.062  -0.405  -1.154  0.00  0.00    +0.239 C 
ATOM     24  O   LIG    1        4.257  -0.525  -2.074  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1        6.297   0.160  -1.374  0.00  0.00    -0.255 N 
ATOM     26  H   LIG    1        6.449   0.453  -2.330  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1        7.444  -0.193  -0.713  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1        8.545  -0.023  -1.228  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1        7.283  -0.770   0.672  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1        6.028  -1.623   0.785  0.00  0.00    +0.041 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5