REMARK  Name = BDB022121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.375  -0.426  -1.161  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1        1.312   0.555  -0.863  0.00  0.00    +0.086 A 
ATOM      3  N   LIG    1        2.471  -0.113  -0.472  0.00  0.00    -0.199 N 
ATOM      4  N   LIG    1        2.319  -1.470  -0.599  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        1.075  -1.635  -1.038  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.707   0.435   0.046  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        4.720  -0.425   0.288  0.00  0.00    -0.210 NA
ATOM      8  C   LIG    1        5.872   0.070   0.785  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1        6.031   1.412   1.057  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        4.946   2.213   0.799  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        3.780   1.758   0.309  0.00  0.00    -0.219 NA
BRANCH   8  12
ATOM     12  C   LIG    1        6.912  -0.954   0.999  0.00  0.00    +0.038 A 
ATOM     13  S   LIG    1        8.455  -0.570   1.656  0.00  0.00    -0.095 S 
ATOM     14  C   LIG    1        8.989  -2.190   1.571  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        8.024  -3.023   1.056  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        6.833  -2.313   0.729  0.00  0.00    +0.017 A 
ENDBRANCH   8  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     17  N   LIG    1       -1.887   0.413  -0.759  0.00  0.00    -0.296 N 
ATOM     18  C   LIG    1       -0.992  -0.253  -1.613  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1       -1.331  -0.681  -2.715  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -1.685   0.513   0.694  0.00  0.00    +0.105 C 
ATOM     21  C   LIG    1       -1.881   1.923   1.231  0.00  0.00    +0.024 C 
ENDBRANCH  17  20
BRANCH  17  22
ATOM     22  C   LIG    1       -3.251   0.599  -1.276  0.00  0.00    +0.123 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.145  -0.664  -1.213  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.574  -1.084   0.142  0.00  0.00    -0.301 NA
BRANCH  24  26
ATOM     25  C   LIG    1       -6.856   0.061   0.167  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -5.479  -0.126   0.796  0.00  0.00    +0.081 C 
ENDBRANCH  24  26
BRANCH  24  27
ATOM     27  C   LIG    1       -5.092  -2.462   0.097  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1       -5.396  -3.054   1.469  0.00  0.00    +0.020 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  18
BRANCH   2  29
ATOM     29  C   LIG    1        1.203   2.028  -0.984  0.00  0.00    +0.215 C 
BRANCH  29  30
ATOM     30  O   LIG    1        2.035   2.398  -2.077  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        2.089   3.807  -2.240  0.00  0.00    +0.194 C 
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 11