0 mol 9 unq 0 iso 0 dist 9.78006 11.0722 5.55437 5.84314 7.05919 8.17486 9.62394 7.28672 8.076 10.9352 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.72502 11.2106 9.40479 5.11636 8.24948 9.57743 8.60554 6.99746 4.90592 5.80953 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.72502 11.2106 9.40479 5.11636 8.24948 9.57743 9.44691 7.05541 8.16324 11.7489 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.72502 5.97304 9.38831 5.11636 8.24948 4.47891 12.9284 10.025 9.69752 10.8435 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.72502 5.97304 9.38831 5.11636 8.24948 4.47891 8.60554 6.99746 9.36461 5.80953 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.72642 7.21418 8.71286 5.03039 8.4965 8.80697 12.13 9.18958 8.85881 15.3664 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 9.15431 7.21005 7.76594 4.57579 6.78801 4.24991 10.8571 5.66194 5.39061 7.75314 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 6.92648 11.5688 7.76594 8.57203 6.78801 4.24991 11.8964 5.66194 5.39061 7.75314 numMergedOcc 0
8 mol 131 unq 2 iso 0 dist 9.29384 15.7796 7.76594 12.6005 6.78801 4.24991 14.9021 5.66194 5.39061 7.75314 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 8.35555 7.78913 8.60521 4.94983 7.1069 10.6183 11.3523 7.72754 5.06613 12.8145 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 9.11712 8.26419 9.75627 4.00127 8.999 6.1593 11.4288 11.6944 8.1536 7.47964 numMergedOcc 0
11 mol 171 unq 1 iso 0 dist 7.71426 4.44751 7.82546 11.8244 9.13027 8.8243 5.93786 6.29877 7.32555 9.19622 numMergedOcc 0
12 mol 171 unq 2 iso 0 dist 5.10618 9.61561 7.82546 13.9189 9.13027 8.8243 8.24693 6.29877 7.32555 9.19622 numMergedOcc 0
13 mol 171 unq 3 iso 0 dist 9.86681 10.2067 7.82546 8.25926 9.13027 8.8243 13.8551 6.29877 7.32555 9.19622 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 6.26839 6.66155 5.52678 10.0756 5.53324 5.28603 8.65535 5.92931 6.37788 4.19371 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 6.26839 6.66155 5.52678 11.8031 6.72182 9.8803 8.65535 5.92931 6.37788 11.7017 numMergedOcc 0
16 mol 194 unq 2 iso 0 dist 6.26839 5.4499 9.81666 10.0756 5.53324 11.0713 8.65535 5.92931 8.7028 4.19371 numMergedOcc 0
17 mol 194 unq 3 iso 0 dist 6.26839 5.4499 9.81666 11.8031 6.72182 15.9964 8.65535 5.92931 8.7028 11.7017 numMergedOcc 0
18 mol 194 unq 4 iso 0 dist 8.12346 6.12973 5.52678 10.2793 5.53324 5.28603 12.0009 5.92931 6.37788 4.19371 numMergedOcc 0
19 mol 194 unq 5 iso 0 dist 8.12346 6.12973 5.52678 9.09233 6.72182 9.8803 12.0009 5.92931 6.37788 11.7017 numMergedOcc 0
20 mol 194 unq 6 iso 0 dist 8.12346 11.0239 9.81666 10.2793 5.53324 11.0713 12.0009 5.92931 8.7028 4.19371 numMergedOcc 0
21 mol 194 unq 7 iso 0 dist 8.12346 11.0239 9.81666 9.09233 6.72182 15.9964 12.0009 5.92931 8.7028 11.7017 numMergedOcc 0
22 mol 194 unq 8 iso 0 dist 8.83356 13.0333 5.52678 10.463 5.53324 5.28603 12.645 5.92931 6.37788 4.19371 numMergedOcc 0
23 mol 194 unq 9 iso 0 dist 8.83356 13.0333 5.52678 4.66791 6.72182 9.8803 12.645 5.92931 6.37788 11.7017 numMergedOcc 0
24 mol 194 unq 10 iso 0 dist 8.83356 18.6469 9.81666 10.463 5.53324 11.0713 12.645 5.92931 8.7028 4.19371 numMergedOcc 0
25 mol 194 unq 11 iso 0 dist 8.83356 18.6469 9.81666 4.66791 6.72182 15.9964 12.645 5.92931 8.7028 11.7017 numMergedOcc 0
26 mol 194 unq 12 iso 0 dist 8.2654 10.1796 5.52678 12.8494 5.53324 5.28603 13.9101 5.92931 6.37788 4.19371 numMergedOcc 0
27 mol 194 unq 13 iso 0 dist 8.2654 10.1796 5.52678 7.73551 6.72182 9.8803 13.9101 5.92931 6.37788 11.7017 numMergedOcc 0
28 mol 194 unq 14 iso 0 dist 8.2654 13.5457 9.81666 12.8494 5.53324 11.0713 13.9101 5.92931 8.7028 4.19371 numMergedOcc 0
29 mol 194 unq 15 iso 0 dist 8.2654 13.5457 9.81666 7.73551 6.72182 15.9964 13.9101 5.92931 8.7028 11.7017 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 8.87609 11.5135 6.53728 17.3148 9.87668 6.35462 10.281 6.59663 8.20162 11.432 numMergedOcc 0
31 mol 225 unq 1 iso 0 dist 8.87609 11.5135 6.53728 13.3773 8.42121 5.94765 10.281 6.59663 8.20162 13.1625 numMergedOcc 0
32 mol 225 unq 2 iso 0 dist 8.87609 11.5135 6.53728 3.97158 7.8744 11.6976 10.281 6.59663 8.20162 7.7086 numMergedOcc 0
33 mol 225 unq 3 iso 0 dist 8.87609 11.5135 6.53728 9.9875 4.98402 11.2847 10.281 6.59663 8.20162 10.351 numMergedOcc 0
34 mol 237 unq 0 iso 0 dist 7.42587 13.1083 9.84466 6.01528 8.7414 9.39277 16.5198 10.634 6.11495 13.8298 numMergedOcc 0
35 mol 252 unq 0 iso 0 dist 6.53679 6.28227 8.55481 5.6214 5.9974 4.34126 12.9597 12.0545 7.39391 8.09509 numMergedOcc 0
36 mol 252 unq 1 iso 0 dist 7.50201 5.25252 8.55481 7.40852 5.9974 4.34126 11.0831 12.0545 7.39391 8.09509 numMergedOcc 0
37 mol 264 unq 0 iso 0 dist 7.52281 4.48907 5.74568 5.71153 6.02757 5.82131 11.0482 11.5512 7.21655 11.9497 numMergedOcc 0
38 mol 264 unq 1 iso 0 dist 7.52281 4.48907 5.74568 6.87635 8.67231 9.58444 11.0482 11.5512 7.21655 16.4967 numMergedOcc 0
39 mol 264 unq 2 iso 0 dist 6.42588 10.1591 5.74568 6.56539 6.02757 5.82131 17.025 11.5512 7.21655 11.9497 numMergedOcc 0
40 mol 264 unq 3 iso 0 dist 6.42588 10.1591 5.74568 4.76241 8.67231 9.58444 17.025 11.5512 7.21655 16.4967 numMergedOcc 0
