REMARK  Name = BDB036841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.276  -0.115   0.145  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -2.240   0.880  -0.068  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.931   2.296   0.113  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1       -1.599  -1.228   0.556  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.667   0.518  -0.015  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -4.113   0.071   1.382  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -3.969   0.783   2.377  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.680  -1.173   1.490  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.965  -1.444   2.420  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.720  -2.173   0.555  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.191  -3.273   0.836  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.138  -1.879  -0.805  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.149  -0.399  -1.142  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     14  C   LIG    1        2.938   1.651  -2.078  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1        1.982   0.939  -1.196  0.00  0.00    +0.043 A 
ATOM     16  N   LIG    1        2.286   0.176  -0.070  0.00  0.00    -0.236 N 
ATOM     17  N   LIG    1        1.145  -0.223   0.556  0.00  0.00    -0.161 NA
ATOM     18  C   LIG    1        0.125   0.201  -0.198  0.00  0.00    +0.148 A 
ATOM     19  C   LIG    1        0.606   0.920  -1.312  0.00  0.00    +0.057 A 
BRANCH  16  20
ATOM     20  C   LIG    1        3.543  -0.220   0.497  0.00  0.00    +0.066 A 
ATOM     21  C   LIG    1        4.768  -0.042  -0.155  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        5.963  -0.449   0.452  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.949  -1.045   1.710  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.739  -1.243   2.365  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.545  -0.838   1.762  0.00  0.00    +0.028 A 
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 3