REMARK  Name = BDB046856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.316   1.025   0.666  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.218   0.215   0.362  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -1.082   0.508   0.837  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.236   1.648   1.645  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -0.148   2.462   1.964  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        1.121   2.149   1.476  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.201  -0.385   0.483  0.00  0.00    +0.075 A 
ATOM      8  N   LIG    1       -1.947  -1.716   0.597  0.00  0.00    -0.255 NA
ATOM      9  C   LIG    1       -2.924  -2.586   0.269  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -4.170  -2.201  -0.179  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1       -4.423  -0.837  -0.302  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -3.429   0.085   0.029  0.00  0.00    +0.043 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.755  -0.415  -0.789  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1       -6.676  -1.160  -1.071  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.874   0.918  -0.906  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -6.788   1.045  -1.236  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  C   LIG    1        3.060  -0.205  -0.666  0.00  0.00    +0.243 C 
ATOM     18  N   LIG    1        2.632   0.784   0.215  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        3.336   1.428   0.550  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        2.346  -1.021  -1.237  0.00  0.00    -0.273 OA
BRANCH  17  21
ATOM     21  C   LIG    1        4.588  -0.159  -0.860  0.00  0.00    +0.255 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.492  -1.040  -1.931  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1        5.079  -1.093  -1.809  0.00  0.00    -0.374 OA
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH   1  18
BRANCH   4  24
ATOM     24  O   LIG    1       -2.469   1.965   2.150  0.00  0.00    -0.506 OA
ATOM     25  H   LIG    1       -2.379   2.701   2.778  0.00  0.00    +0.292 HD
ENDBRANCH   4  24
TORSDOF 7