0 mol 24 unq 0 iso 0 dist 6.80849 13.9888 8.86116 10.1696 8.38394 6.44287 16.8105 10.0952 6.86014 12.5077 11.8618 5.11636 7.95042 10.9819 5.69214 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.47617 8.14351 6.20293 15.1595 8.80331 8.13395 8.99509 5.06502 5.73819 10.5523 12.5916 5.41726 6.75943 6.6263 4.96926 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.47617 8.14351 6.20293 15.1595 8.80331 8.13395 5.73331 6.45462 8.93915 14.7803 12.5916 5.41726 6.75943 6.6263 10.0383 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 8.13273 14.1434 8.03644 6.56354 9.03572 16.6055 15.9036 8.41707 7.27724 16.9836 17.8295 11.3215 9.3948 19.7448 3.94537 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 8.13273 14.1434 8.03644 6.56354 9.03572 16.6055 15.9036 8.41707 7.27724 16.9836 11.0421 5.06946 9.74607 11.97 6.12605 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 8.13273 14.1434 8.03644 6.68919 8.83255 13.8105 15.9036 8.41707 7.27724 16.9811 17.8295 11.3215 9.3948 19.9408 3.94537 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 8.13273 14.1434 8.03644 6.68919 8.83255 13.8105 15.9036 8.41707 7.27724 16.9811 11.0421 5.06946 9.74607 13.5721 6.12605 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 6.86762 5.83991 7.69052 11.7895 8.02349 6.11741 7.88312 9.21978 6.63111 6.39384 9.42082 6.07067 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 10.3475 9.33865 7.69052 12.9567 10.8507 7.30858 13.8473 6.17349 4.48636 7.69765 13.4105 10.3209 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 5.11612 6.86762 5.83991 10.3475 9.33865 7.69052 12.9567 10.8507 7.30858 13.8473 9.21978 6.63111 9.42082 6.39384 15.3161 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 5.11612 6.86762 5.83991 10.3475 9.33865 7.69052 11.7895 8.02349 7.88312 6.11741 6.17349 4.48636 7.69765 13.4105 11.835 numMergedOcc 0
11 mol 115 unq 4 iso 0 dist 5.11612 6.86762 5.83991 10.3475 9.33865 7.69052 11.7895 8.02349 7.88312 6.11741 9.21978 6.63111 9.42082 6.39384 6.07067 numMergedOcc 0
12 mol 115 unq 5 iso 0 dist 5.22628 10.0419 9.33865 6.8104 6.11741 8.02349 11.2519 7.69052 5.83991 7.88312 9.26505 6.95773 6.24825 10.0255 6.01673 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.29673 9.35671 8.22656 5.78974 7.24514 6.65743 11.5292 5.61668 6.82262 10.2995 13.5739 6.9945 7.22643 10.4642 4.19723 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 8.94909 6.80087 8.00618 8.76089 7.11802 8.18495 12.8006 11.965 6.29155 13.268 7.33743 15.0115 8.77023 12.5855 13.0405 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 8.94909 6.80087 8.00618 8.76089 7.11802 8.18495 9.73536 7.79672 6.80239 12.6651 7.33743 15.0115 8.77023 12.5855 13.7612 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 4.82496 8.87437 5.49936 9.0847 5.42328 6.70283 7.16148 12.8022 4.94983 6.70693 10.4895 5.39112 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 9.37459 8.41711 5.87555 4.82496 8.87437 5.49936 6.00061 5.54906 8.67331 8.05741 12.8022 4.94983 6.70693 10.4895 9.67475 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 9.0847 8.41711 6.70283 14.8573 8.56324 7.65448 9.37459 5.42328 5.87555 10.399 12.8022 5.39112 6.70693 6.59889 4.94983 numMergedOcc 0
19 mol 152 unq 3 iso 0 dist 9.0847 8.41711 6.70283 14.8573 8.56324 7.65448 6.00061 6.4896 8.67331 14.1618 12.8022 5.39112 6.70693 6.59889 9.67475 numMergedOcc 0
20 mol 152 unq 4 iso 0 dist 9.0847 8.41711 6.70283 4.82496 7.16148 5.49936 9.37459 5.42328 5.87555 8.87437 12.8022 5.39112 6.70693 10.4895 4.94983 numMergedOcc 0
21 mol 152 unq 5 iso 0 dist 9.0847 8.41711 6.70283 4.82496 7.16148 5.49936 6.00061 6.4896 8.67331 8.05741 12.8022 5.39112 6.70693 10.4895 9.67475 numMergedOcc 0
22 mol 152 unq 6 iso 0 dist 6.00061 8.41711 8.67331 4.82496 8.05741 5.49936 9.37459 5.54906 5.87555 8.87437 12.8022 9.67475 6.70693 10.4895 4.94983 numMergedOcc 0
23 mol 152 unq 7 iso 0 dist 6.00061 8.41711 8.67331 4.82496 8.05741 5.49936 9.0847 6.4896 6.70283 7.16148 12.8022 9.67475 6.70693 10.4895 5.39112 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 6.73556 5.98885 8.88798 17.347 13.2049 8.03334 10.7062 18.8712 12.9532 9.76212 13.2783 6.50233 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 5.49666 9.15386 12.1628 17.347 13.2049 8.03334 14.9794 18.8712 12.9532 9.76212 18.2853 6.50233 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 8.47457 8.1404 6.60589 5.15333 6.65832 6.77699 12.3857 5.0744 6.57273 10.103 11.4433 5.76843 8.79428 6.99769 7.05804 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 8.47457 8.1404 6.60589 15.1783 9.16166 8.49799 12.3857 5.0744 6.57273 5.78342 11.4433 5.76843 8.79428 6.8692 7.05804 numMergedOcc 0
28 mol 224 unq 2 iso 0 dist 8.47457 15.1783 9.16166 5.15333 6.65832 11.328 12.3857 5.0744 5.78342 10.103 11.4433 5.76843 6.8692 6.99769 7.05804 numMergedOcc 0
29 mol 224 unq 3 iso 0 dist 8.47457 15.1783 9.16166 5.15333 6.65832 11.328 14.6947 6.91102 5.81334 10.9745 11.4433 5.76843 6.8692 6.99769 4.54188 numMergedOcc 0
30 mol 224 unq 4 iso 0 dist 8.47457 15.1783 9.16166 8.1404 6.60589 8.49799 12.3857 5.0744 5.78342 6.57273 11.4433 5.76843 6.8692 8.79428 7.05804 numMergedOcc 0
31 mol 224 unq 5 iso 0 dist 8.47457 15.1783 9.16166 8.1404 6.60589 8.49799 14.6947 6.91102 5.81334 10.5128 11.4433 5.76843 6.8692 8.79428 4.54188 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 7.17032 9.25445 9.45496 5.44278 6.56247 5.88703 12.069 7.82322 6.7625 9.36357 15.858 12.4252 7.81215 11.6391 5.75498 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 5.48552 8.53687 10.582 6.20344 4.69778 7.88519 10.5767 13.6039 12.2293 9.46361 18.7675 11.6988 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 6.08432 7.84554 4.86771 5.29682 4.69778 8.13497 9.95973 13.6039 11.6988 9.46361 12.8903 12.2293 numMergedOcc 0
35 mol 259 unq 2 iso 0 dist 6.20344 5.56656 7.88519 10.3156 7.46176 6.96053 5.29682 4.69778 8.13497 10.3935 13.6039 11.6988 9.46361 6.95511 12.2293 numMergedOcc 0
36 mol 259 unq 3 iso 0 dist 6.20344 5.56656 7.88519 9.55719 9.18903 10.4881 5.29682 4.69778 8.13497 12.6839 13.6039 11.6988 9.46361 17.104 12.2293 numMergedOcc 0
