REMARK  Name = BDB043222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.298   2.466  -0.146  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        0.011   2.186  -0.084  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        0.375   0.905   0.038  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1       -0.496  -0.108   0.102  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -1.809   0.159   0.039  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -2.245   1.464  -0.071  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -2.715  -0.892   0.134  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -3.937  -0.877  -0.690  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -4.164  -2.236  -1.395  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.247  -3.384  -0.469  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -4.053  -4.640  -1.188  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.296  -3.244   0.657  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.159  -2.219   0.439  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1       -1.753   3.800  -0.234  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -2.561   3.883  -0.837  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1        1.571   7.304   0.947  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1        0.447   6.483   0.452  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1       -0.574   7.003  -0.290  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -0.703   7.964  -0.591  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1       -1.506   6.101  -0.635  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1       -1.064   4.954  -0.115  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1        0.149   5.145   0.586  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1        1.753   0.701   0.081  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        2.208   1.599   0.011  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        2.569  -0.423   0.236  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        3.964  -0.252   0.169  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        4.841  -1.333   0.296  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        4.323  -2.613   0.483  0.00  0.00    +0.105 A 
ATOM     29  C   LIG    1        2.946  -2.812   0.566  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        2.081  -1.720   0.435  0.00  0.00    +0.025 A 
BRANCH  28  31
ATOM     31  S   LIG    1        5.413  -4.000   0.642  0.00  0.00    +0.056 S 
ATOM     32  O   LIG    1        4.786  -4.983   1.492  0.00  0.00    -0.153 OA
ATOM     33  O   LIG    1        6.753  -3.510   0.874  0.00  0.00    -0.153 OA
BRANCH  31  34
ATOM     34  N   LIG    1        5.420  -4.601  -0.932  0.00  0.00    -0.204 NA
ATOM     35  H   LIG    1        6.363  -4.507  -1.315  0.00  0.00    +0.144 HD
ATOM     36  H   LIG    1        4.721  -4.164  -1.532  0.00  0.00    +0.144 HD
ENDBRANCH  31  34
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 7