  ACETYLSALICYLIC_ACID
21
21
1 6 -0.412000 -1.288000 0.024000
2 6 -0.364000 0.116000 -0.076000
3 6 -1.596000 0.836000 -0.064000
4 6 -2.816000 0.132000 0.084000
5 6 -2.836000 -1.256000 0.220000
6 6 -1.632000 -1.964000 0.184000
7 6 -1.672000 2.252000 -0.168000
8 8 -2.888000 2.888000 -0.184000
9 8 -0.528000 3.076000 -0.304000
10 8 0.852000 0.880000 -0.004000
11 6 2.164000 0.396000 -0.304000
12 8 3.124000 1.360000 -0.496000
13 6 2.692000 -1.020000 -0.072000
14 1 0.468000 -1.876000 0.016000
15 1 -3.760000 0.660000 0.112000
16 1 -3.772000 -1.780000 0.348000
17 1 -1.640000 -3.076000 0.280000
18 1 0.376000 2.444000 -0.316000
19 1 2.336000 -1.404000 0.900000
20 1 2.368000 -1.684000 -0.900000
21 1 3.772000 -1.000000 -0.056000
21  13
20  13
19  13
18  9
17  6
16  5
15  4
14  1
13  11
12  11
11  10
10  2
9  7
8  7
7  3
6  1
6  5
5  4
4  3
3  2
2  1
