0 mol 34 unq 0 iso 0 dist 6.93364 4.72138 6.34821 3.8237 9.31883 4.97937 numMergedOcc 0
1 mol 34 unq 0 iso 1 dist 6.34821 4.72138 6.93364 4.97937 9.31883 3.8237 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 6.93364 4.72138 6.34821 6.07532 9.475 3.68737 numMergedOcc 0
3 mol 34 unq 1 iso 1 dist 6.34821 4.72138 6.93364 3.68737 9.475 6.07532 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 6.93364 4.72138 6.34821 4.47743 8.34011 3.93021 numMergedOcc 0
5 mol 34 unq 2 iso 1 dist 6.34821 4.72138 6.93364 3.93021 8.34011 4.47743 numMergedOcc 0
6 mol 34 unq 3 iso 0 dist 6.93364 4.72138 6.34821 11.418 6.29842 11.1366 numMergedOcc 0
7 mol 34 unq 3 iso 1 dist 6.34821 4.72138 6.93364 11.1366 6.29842 11.418 numMergedOcc 0
8 mol 39 unq 0 iso 0 dist 8.19733 15.4102 8.57165 11.2159 8.55553 11.4688 numMergedOcc 0
9 mol 39 unq 0 iso 1 dist 8.57165 15.4102 8.19733 11.4688 8.55553 11.2159 numMergedOcc 0
10 mol 39 unq 1 iso 0 dist 8.19733 15.4102 8.57165 8.56189 5.00813 7.29013 numMergedOcc 0
11 mol 39 unq 1 iso 1 dist 8.57165 15.4102 8.19733 7.29013 5.00813 8.56189 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.87025 8.58342 5.85818 12.2671 7.62197 3.71283 numMergedOcc 0
13 mol 119 unq 0 iso 1 dist 5.85818 8.58342 9.87025 3.71283 7.62197 12.2671 numMergedOcc 0
14 mol 146 unq 0 iso 0 dist 8.1069 10.651 8.68349 8.77123 8.71836 6.19717 numMergedOcc 0
15 mol 146 unq 0 iso 1 dist 8.68349 10.651 8.1069 6.19717 8.71836 8.77123 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 5.1101 6.46698 7.01133 7.97454 7.19893 13.3536 numMergedOcc 0
17 mol 147 unq 0 iso 1 dist 7.01133 6.46698 5.1101 13.3536 7.19893 7.97454 numMergedOcc 0
18 mol 147 unq 1 iso 0 dist 5.1101 6.46698 7.01133 3.547 6.37938 9.88741 numMergedOcc 0
19 mol 147 unq 1 iso 1 dist 7.01133 6.46698 5.1101 9.88741 6.37938 3.547 numMergedOcc 0
20 mol 163 unq 0 iso 0 dist 8.21476 7.11179 7.66897 11.6682 7.69757 7.1982 numMergedOcc 0
21 mol 163 unq 0 iso 1 dist 7.66897 7.11179 8.21476 7.1982 7.69757 11.6682 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 8.15936 5.17341 8.16598 8.56728 5.20846 6.76174 numMergedOcc 0
23 mol 198 unq 0 iso 1 dist 8.16598 5.17341 8.15936 6.76174 5.20846 8.56728 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 6.86795 9.17818 6.61099 4.24855 8.98941 10.7049 numMergedOcc 0
25 mol 218 unq 0 iso 1 dist 6.61099 9.17818 6.86795 10.7049 8.98941 4.24855 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 6.86795 9.17818 6.61099 5.31276 6.45381 4.36581 numMergedOcc 0
27 mol 218 unq 1 iso 1 dist 6.61099 9.17818 6.86795 4.36581 6.45381 5.31276 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 5.2361 9.93756 5.57515 14.0295 9.76731 7.41325 numMergedOcc 0
29 mol 252 unq 0 iso 1 dist 5.57515 9.93756 5.2361 7.41325 9.76731 14.0295 numMergedOcc 0
30 mol 252 unq 1 iso 0 dist 5.2361 9.93756 5.57515 10.3309 8.38599 7.40276 numMergedOcc 0
31 mol 252 unq 1 iso 1 dist 5.57515 9.93756 5.2361 7.40276 8.38599 10.3309 numMergedOcc 0
32 mol 252 unq 2 iso 0 dist 5.2361 11.2543 8.28694 14.0295 9.76731 6.68865 numMergedOcc 0
33 mol 252 unq 2 iso 1 dist 8.28694 11.2543 5.2361 6.68865 9.76731 14.0295 numMergedOcc 0
34 mol 252 unq 3 iso 0 dist 5.2361 11.2543 8.28694 10.3309 8.38599 3.93498 numMergedOcc 0
35 mol 252 unq 3 iso 1 dist 8.28694 11.2543 5.2361 3.93498 8.38599 10.3309 numMergedOcc 0
36 mol 252 unq 2 iso 0 dist 5.57515 4.79679 8.28694 7.41325 9.76731 6.68865 numMergedOcc 0
37 mol 252 unq 2 iso 1 dist 8.28694 4.79679 5.57515 6.68865 9.76731 7.41325 numMergedOcc 0
38 mol 252 unq 3 iso 0 dist 5.57515 4.79679 8.28694 7.40276 8.38599 3.93498 numMergedOcc 0
39 mol 252 unq 3 iso 1 dist 8.28694 4.79679 5.57515 3.93498 8.38599 7.40276 numMergedOcc 0
40 mol 282 unq 0 iso 0 dist 9.96468 5.50511 9.59817 14.9487 9.9322 17.4495 numMergedOcc 0
41 mol 282 unq 0 iso 1 dist 9.59817 5.50511 9.96468 17.4495 9.9322 14.9487 numMergedOcc 0
