0 mol 68 unq 0 iso 0 dist 8.80104 7.66647 6.40693 11.8533 8.05514 10.3533 12.0508 13.0221 15.2743 8.19932 numMergedOcc 0
1 mol 93 unq 0 iso 0 dist 7.85041 6.957 7.62611 12.1673 7.8435 14.9656 17.6028 12.5638 20.1017 6.67678 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 7.85041 6.957 7.62611 12.1673 7.8435 14.9656 18.4528 12.4215 20.0375 7.24956 numMergedOcc 0
3 mol 93 unq 2 iso 0 dist 7.85041 6.957 7.62611 12.1673 7.8435 14.9656 8.70794 5.99863 11.2438 8.28591 numMergedOcc 0
4 mol 93 unq 3 iso 0 dist 7.85041 6.957 7.62611 12.1673 7.8435 14.9656 12.2186 6.15015 12.0199 9.40687 numMergedOcc 0
5 mol 93 unq 4 iso 0 dist 7.85041 6.957 7.62611 7.30779 5.99269 11.5397 8.70794 5.99863 11.2438 5.35008 numMergedOcc 0
6 mol 93 unq 5 iso 0 dist 7.85041 6.957 7.62611 7.30779 5.99269 11.5397 12.2186 6.15015 12.0199 8.84576 numMergedOcc 0
7 mol 93 unq 6 iso 0 dist 7.85041 6.957 7.62611 9.18194 5.71763 5.43515 8.70794 5.99863 11.2438 8.30921 numMergedOcc 0
8 mol 93 unq 7 iso 0 dist 7.85041 6.957 7.62611 9.18194 5.71763 5.43515 12.2186 6.15015 12.0199 7.39732 numMergedOcc 0
9 mol 93 unq 8 iso 0 dist 7.85041 6.957 7.62611 9.18194 5.71763 5.43515 16.0253 10.9803 14.9939 9.67744 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.39683 10.8622 5.44303 8.34485 6.78801 6.11089 16.4794 9.93041 8.47526 8.49847 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 9.39683 12.6448 8.50562 8.34485 6.78801 10.9311 16.4794 9.93041 13.2907 8.49847 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 7.35329 6.93752 5.8628 5.80353 5.48379 4.09908 10.8611 6.02991 4.6512 6.77583 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.94153 4.35079 4.5271 5.93479 7.04815 3.87169 11.5528 6.50208 7.37629 6.94594 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 7.94153 4.35079 4.5271 5.93479 7.04815 3.87169 9.8337 6.3786 5.68985 5.81881 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 7.94153 4.35079 4.5271 5.86306 6.07389 5.65634 12.9302 8.54557 11.9345 9.4366 numMergedOcc 0
16 mol 186 unq 3 iso 0 dist 7.94153 5.34643 7.02575 5.93479 7.04815 8.65911 11.5528 6.50208 12.4962 6.94594 numMergedOcc 0
17 mol 186 unq 4 iso 0 dist 7.94153 5.34643 7.02575 5.93479 7.04815 8.65911 9.8337 6.3786 11.8931 5.81881 numMergedOcc 0
18 mol 186 unq 5 iso 0 dist 7.94153 5.34643 7.02575 5.86306 6.07389 3.87082 12.9302 8.54557 8.2241 9.4366 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 9.77862 5.63279 5.68348 8.31541 5.53324 4.002 12.7281 7.82899 8.13022 4.45769 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 9.77862 5.63279 5.68348 8.31541 5.53324 4.002 13.0738 10.0237 9.82667 5.89939 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 9.83885 11.8917 5.95375 13.4094 7.53395 7.25932 14.9615 6.72925 9.17562 4.97301 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 7.29542 9.51752 9.23935 13.317 9.87668 18.9885 20.0266 13.9338 22.4301 8.74463 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 7.29542 10.9596 7.77552 13.317 9.87668 17.5145 20.0266 13.9338 19.67 8.74463 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 9.42738 10.6815 7.21655 9.04569 7.14086 13.0036 13.0402 9.4435 11.5459 8.55386 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 8.23056 6.29016 9.30921 6.25207 5.8304 11.0079 11.2355 7.93548 15.5412 4.98693 numMergedOcc 0
26 mol 285 unq 0 iso 0 dist 5.80415 7.87216 8.16947 4.3249 8.94601 8.85284 6.01404 8.03918 10.6578 4.27826 numMergedOcc 0
27 mol 285 unq 1 iso 0 dist 5.80415 7.87216 8.16947 4.3249 8.94601 8.85284 9.14377 11.1127 10.4333 5.82074 numMergedOcc 0
28 mol 285 unq 2 iso 0 dist 5.80415 4.39689 6.74142 4.3249 8.94601 6.3633 6.01404 8.03918 8.79261 4.27826 numMergedOcc 0
29 mol 285 unq 3 iso 0 dist 5.80415 4.39689 6.74142 4.3249 8.94601 6.3633 9.14377 11.1127 9.99125 5.82074 numMergedOcc 0
