REMARK  Name = BDB022151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.230  -0.730   0.324  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1       -0.064  -1.485   0.312  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.109  -2.963   0.361  0.00  0.00    +0.066 C 
ATOM      4  N   LIG    1        0.999  -0.582   0.244  0.00  0.00    -0.202 N 
ATOM      5  N   LIG    1        0.540   0.708   0.189  0.00  0.00    -0.171 NA
ATOM      6  C   LIG    1       -0.781   0.602   0.275  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.421  -0.854   0.226  0.00  0.00    +0.252 A 
ATOM      8  N   LIG    1        3.261   0.201   0.143  0.00  0.00    -0.210 NA
ATOM      9  C   LIG    1        4.588  -0.044   0.131  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1        5.094  -1.325   0.198  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        4.169  -2.338   0.277  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1        2.841  -2.135   0.291  0.00  0.00    -0.219 NA
BRANCH   9  13
ATOM     13  C   LIG    1        5.414   1.174   0.042  0.00  0.00    +0.038 A 
ATOM     14  S   LIG    1        7.132   1.114  -0.033  0.00  0.00    -0.095 S 
ATOM     15  C   LIG    1        7.273   2.814  -0.113  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        6.046   3.434  -0.086  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        4.981   2.492   0.002  0.00  0.00    +0.017 A 
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     18  N   LIG    1       -3.587  -0.566  -0.304  0.00  0.00    -0.298 N 
ATOM     19  C   LIG    1       -2.598  -1.221   0.441  0.00  0.00    +0.250 C 
ATOM     20  O   LIG    1       -2.861  -2.152   1.198  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1       -3.303   0.120  -1.561  0.00  0.00    +0.132 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.992  -0.902  -0.028  0.00  0.00    +0.135 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.955   0.296  -0.030  0.00  0.00    +0.178 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.841   1.727   1.527  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -6.014   0.991   1.218  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   1  19
TORSDOF 6