0 mol 4 unq 0 iso 0 dist 6.66589 7.88748 4.90612 6.21697 9.80478 10.4152 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 8.62769 9.87963 4.02037 12.8594 6.09782 8.67352 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 6.09782 8.67352 4.02037 12.8594 8.62769 9.87963 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.10915 9.899 13.4227 6.90646 8.66921 16.1748 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 9.10915 9.899 13.4227 7.89535 5.54343 15.2562 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.64208 6.44825 13.625 8.8254 6.99398 14.1148 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 4.83274 6.97936 6.77898 10.5047 7.89214 5.00466 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 7.89214 5.00466 6.77898 10.5047 4.83274 6.97936 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.93552 9.03339 9.38943 9.38788 6.09472 14.0812 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 8.93552 9.03339 9.38943 7.12394 6.20658 10.4486 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 8.35604 9.03339 5.64974 7.12394 7.83568 10.4486 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.90592 9.70788 11.903 7.57667 9.18691 16.2327 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 8.8573 7.337 4.16504 6.11195 9.35182 9.08906 numMergedOcc 0
13 mol 168 unq 1 iso 0 dist 9.35182 9.08906 4.16504 6.11195 8.8573 7.337 numMergedOcc 0
14 mol 219 unq 0 iso 0 dist 8.09769 8.3704 11.3569 10.4254 9.68515 16.0806 numMergedOcc 0
15 mol 219 unq 1 iso 0 dist 8.09769 8.3704 11.3569 10.676 6.75833 16.5298 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.30244 8.63649 14.9028 6.99846 9.58343 13.5602 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 8.81059 9.6327 13.987 7.64421 7.9357 16.844 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 9.12006 9.6327 15.8856 16.5108 9.47519 24.7581 numMergedOcc 0
19 mol 258 unq 2 iso 0 dist 9.12006 9.6327 15.8856 7.64421 5.79537 16.844 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 8.82094 5.38409 5.12237 11.3373 9.80332 8.45524 numMergedOcc 0
21 mol 272 unq 1 iso 0 dist 9.80332 9.79769 7.99951 11.3373 8.82094 9.93232 numMergedOcc 0
22 mol 272 unq 2 iso 0 dist 9.80332 8.45524 5.12237 11.3373 8.82094 5.38409 numMergedOcc 0
23 mol 272 unq 3 iso 0 dist 9.80332 9.66055 5.41667 11.3373 8.82094 13.4795 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 7.13655 6.06665 4.79186 5.69849 8.98486 10.6454 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 7.13655 6.06665 4.79186 6.44062 8.70152 9.38541 numMergedOcc 0
26 mol 287 unq 2 iso 0 dist 8.70152 9.38541 4.79186 7.02409 8.98486 10.6454 numMergedOcc 0
27 mol 287 unq 3 iso 0 dist 8.70152 9.38541 4.79186 6.44062 7.13655 6.06665 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 7.13655 6.06665 4.79186 5.69849 8.98486 10.6454 numMergedOcc 0
29 mol 288 unq 1 iso 0 dist 7.13655 6.06665 4.79186 6.44062 8.70152 9.38541 numMergedOcc 0
30 mol 288 unq 2 iso 0 dist 8.70152 9.38541 4.79186 7.02409 8.98486 10.6454 numMergedOcc 0
31 mol 288 unq 3 iso 0 dist 8.70152 9.38541 4.79186 6.44062 7.13655 6.06665 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 7.13655 6.06665 4.79186 5.69849 8.98486 10.6454 numMergedOcc 0
33 mol 289 unq 1 iso 0 dist 7.13655 6.06665 4.79186 6.44062 8.70152 9.38541 numMergedOcc 0
34 mol 289 unq 2 iso 0 dist 8.70152 9.38541 4.79186 7.02409 8.98486 10.6454 numMergedOcc 0
35 mol 289 unq 3 iso 0 dist 8.70152 9.38541 4.79186 6.44062 7.13655 6.06665 numMergedOcc 0
