0 mol 9 unq 0 iso 0 dist 5.99711 4.46001 7.25684 11.6572 8.22285 11.8158 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 5.99711 11.6572 8.22285 4.46001 7.25684 11.8158 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 5.04036 11.1067 8.00865 13.4623 9.11447 9.40499 numMergedOcc 0
3 mol 13 unq 0 iso 1 dist 5.04036 13.4623 9.11447 11.1067 8.00865 9.40499 numMergedOcc 0
4 mol 13 unq 1 iso 0 dist 9.44958 11.4587 8.00865 4.14738 9.11447 9.40499 numMergedOcc 0
5 mol 13 unq 1 iso 1 dist 9.44958 4.14738 9.11447 11.4587 8.00865 9.40499 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 7.27883 12.2054 6.93364 9.09489 6.34821 4.72138 numMergedOcc 0
7 mol 34 unq 0 iso 1 dist 7.27883 9.09489 6.34821 12.2054 6.93364 4.72138 numMergedOcc 0
8 mol 39 unq 0 iso 0 dist 6.12212 11.6261 8.19733 5.48821 8.57165 15.4102 numMergedOcc 0
9 mol 39 unq 0 iso 1 dist 6.12212 5.48821 8.57165 11.6261 8.19733 15.4102 numMergedOcc 0
10 mol 44 unq 0 iso 0 dist 7.03812 9.60832 9.17518 5.27237 8.21833 6.81119 numMergedOcc 0
11 mol 44 unq 0 iso 1 dist 7.03812 5.27237 8.21833 9.60832 9.17518 6.81119 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 6.62468 6.53156 6.82089 4.72188 5.38314 6.09983 numMergedOcc 0
13 mol 130 unq 0 iso 1 dist 6.62468 4.72188 5.38314 6.53156 6.82089 6.09983 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.5076 4.49984 8.07135 10.2495 9.7775 12.7248 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 8.5076 10.2495 9.7775 4.49984 8.07135 12.7248 numMergedOcc 0
16 mol 146 unq 0 iso 0 dist 5.04351 6.04249 8.1069 9.77501 8.68349 10.651 numMergedOcc 0
17 mol 146 unq 0 iso 1 dist 5.04351 9.77501 8.68349 6.04249 8.1069 10.651 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 6.4752 4.10092 5.1101 4.47436 7.01133 6.46698 numMergedOcc 0
19 mol 147 unq 0 iso 1 dist 6.4752 4.47436 7.01133 4.10092 5.1101 6.46698 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 9.2042 12.9483 7.53158 9.90775 7.43407 5.14555 numMergedOcc 0
21 mol 154 unq 0 iso 1 dist 9.2042 9.90775 7.43407 12.9483 7.53158 5.14555 numMergedOcc 0
22 mol 163 unq 0 iso 0 dist 9.3832 14.7696 8.21476 9.55472 7.66897 7.11179 numMergedOcc 0
23 mol 163 unq 0 iso 1 dist 9.3832 9.55472 7.66897 14.7696 8.21476 7.11179 numMergedOcc 0
24 mol 163 unq 1 iso 0 dist 6.0247 6.00005 8.21476 6.69711 7.66897 7.11179 numMergedOcc 0
25 mol 163 unq 1 iso 1 dist 6.0247 6.69711 7.66897 6.00005 8.21476 7.11179 numMergedOcc 0
26 mol 163 unq 2 iso 0 dist 6.40873 9.09427 8.21476 5.45003 7.66897 7.11179 numMergedOcc 0
27 mol 163 unq 2 iso 1 dist 6.40873 5.45003 7.66897 9.09427 8.21476 7.11179 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 9.91705 6.24616 5.49808 12.5567 7.96291 6.46849 numMergedOcc 0
29 mol 181 unq 0 iso 1 dist 9.91705 12.5567 7.96291 6.24616 5.49808 6.46849 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 7.92476 5.56759 5.49808 4.43465 7.96291 6.46849 numMergedOcc 0
31 mol 181 unq 1 iso 1 dist 7.92476 4.43465 7.96291 5.56759 5.49808 6.46849 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 8.12518 4.71182 9.20589 7.51342 7.89801 9.97427 numMergedOcc 0
33 mol 227 unq 0 iso 1 dist 8.12518 7.51342 7.89801 4.71182 9.20589 9.97427 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 8.81373 6.0331 7.18771 4.9045 7.94894 4.89061 numMergedOcc 0
35 mol 239 unq 0 iso 1 dist 8.81373 4.9045 7.94894 6.0331 7.18771 4.89061 numMergedOcc 0
36 mol 240 unq 0 iso 0 dist 8.44671 7.4874 8.33853 3.97303 5.66537 7.50503 numMergedOcc 0
37 mol 240 unq 0 iso 1 dist 8.44671 3.97303 5.66537 7.4874 8.33853 7.50503 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 9.81593 7.31906 5.2361 12.2338 5.57515 9.93756 numMergedOcc 0
39 mol 252 unq 0 iso 1 dist 9.81593 12.2338 5.57515 7.31906 5.2361 9.93756 numMergedOcc 0
40 mol 252 unq 1 iso 0 dist 9.81593 7.31906 5.2361 14.2535 8.28694 11.2543 numMergedOcc 0
41 mol 252 unq 1 iso 1 dist 9.81593 14.2535 8.28694 7.31906 5.2361 11.2543 numMergedOcc 0
42 mol 252 unq 1 iso 0 dist 9.81593 12.2338 5.57515 14.2535 8.28694 4.79679 numMergedOcc 0
43 mol 252 unq 1 iso 1 dist 9.81593 14.2535 8.28694 12.2338 5.57515 4.79679 numMergedOcc 0
44 mol 252 unq 2 iso 0 dist 9.78248 12.8039 5.2361 8.32839 5.57515 9.93756 numMergedOcc 0
45 mol 252 unq 2 iso 1 dist 9.78248 8.32839 5.57515 12.8039 5.2361 9.93756 numMergedOcc 0
46 mol 252 unq 3 iso 0 dist 9.78248 12.8039 5.2361 5.63228 8.28694 11.2543 numMergedOcc 0
47 mol 252 unq 3 iso 1 dist 9.78248 5.63228 8.28694 12.8039 5.2361 11.2543 numMergedOcc 0
48 mol 252 unq 3 iso 0 dist 9.78248 8.32839 5.57515 5.63228 8.28694 4.79679 numMergedOcc 0
49 mol 252 unq 3 iso 1 dist 9.78248 5.63228 8.28694 8.32839 5.57515 4.79679 numMergedOcc 0
