REMARK  Name = BDB022150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.718   0.486   1.046  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1        0.224  -0.352   0.455  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.063  -1.673  -0.212  0.00  0.00    +0.066 C 
ATOM      4  N   LIG    1        1.468   0.263   0.641  0.00  0.00    -0.202 N 
ATOM      5  N   LIG    1        1.352   1.378   1.422  0.00  0.00    -0.171 NA
ATOM      6  C   LIG    1        0.050   1.494   1.658  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.760  -0.132   0.118  0.00  0.00    +0.252 A 
ATOM      8  N   LIG    1        3.834   0.605   0.473  0.00  0.00    -0.210 NA
ATOM      9  C   LIG    1        5.040   0.250  -0.019  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1        5.192  -0.827  -0.866  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        4.047  -1.517  -1.180  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1        2.829  -1.196  -0.711  0.00  0.00    -0.219 NA
BRANCH   9  13
ATOM     13  C   LIG    1        6.142   1.118   0.434  0.00  0.00    +0.038 A 
ATOM     14  S   LIG    1        7.769   0.870  -0.068  0.00  0.00    -0.095 S 
ATOM     15  C   LIG    1        8.341   2.198   0.841  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        7.328   2.831   1.520  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        6.067   2.211   1.286  0.00  0.00    +0.017 A 
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     18  N   LIG    1       -2.756  -0.249   0.037  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -2.191  -0.352  -0.795  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -2.167   0.384   1.111  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1       -2.812   0.888   2.024  0.00  0.00    -0.270 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -4.199  -0.275  -0.098  0.00  0.00    +0.105 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.637  -1.206  -1.223  0.00  0.00    +0.029 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.138  -1.165  -1.510  0.00  0.00    +0.070 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -7.735  -0.397   0.628  0.00  0.00    +0.084 C 
ATOM     26  S   LIG    1       -7.145  -1.905  -0.184  0.00  0.00    -0.164 S 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   1  20
TORSDOF 7