0 mol 26 unq 0 iso 0 dist 9.72597 5.7075 7.90721 11.358 5.45023 6.7142 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.97991 5.21951 6.38243 9.7004 5.66783 6.81793 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.62842 13.5457 7.99016 12.5746 5.14532 8.20298 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 8.62842 13.891 6.41793 12.5746 5.14532 6.13351 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 8.27298 15.5017 7.99016 12.6752 5.14532 8.20298 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 8.27298 14.3169 6.41793 12.6752 5.14532 6.13351 numMergedOcc 0
6 mol 39 unq 4 iso 0 dist 8.56111 14.9261 7.99016 12.8123 5.14532 8.20298 numMergedOcc 0
7 mol 39 unq 5 iso 0 dist 8.56111 12.978 6.41793 12.8123 5.14532 6.13351 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.89951 4.69408 5.17145 12.6055 9.43915 8.4701 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 5.89661 10.5249 7.8435 17.2414 15.8624 9.19977 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 5.89661 10.5249 7.8435 17.2011 14.7862 7.28831 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 5.89661 10.5249 7.8435 11.1616 9.42916 9.71411 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.70888 10.3972 6.83746 15.4135 14.6934 9.25444 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 8.70888 10.3972 6.83746 17.6503 11.4207 8.46823 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 9.60416 15.4506 8.75597 16.5314 8.02554 9.84703 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 9.60416 15.4506 8.75597 16.7804 11.2092 4.62494 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 7.20629 12.6962 9.57341 19.8226 14.8901 8.67537 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 6.39075 10.3049 9.05336 15.6194 10.0747 9.94998 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 5.67716 9.39743 6.99125 12.3067 12.612 9.27009 numMergedOcc 0
19 mol 170 unq 0 iso 0 dist 5.59924 5.37396 5.13268 10.7311 7.29587 6.47164 numMergedOcc 0
20 mol 170 unq 1 iso 0 dist 5.59924 5.37396 5.13268 11.2565 8.73585 9.65126 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 9.7578 14.7654 8.999 19.9605 11.6944 7.47964 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 9.85967 13.1165 8.999 11.2168 11.6944 7.47964 numMergedOcc 0
23 mol 212 unq 0 iso 0 dist 7.90906 11.9025 5.50658 17.1965 12.8059 9.10288 numMergedOcc 0
24 mol 212 unq 1 iso 0 dist 7.90906 11.9025 5.50658 17.427 10.7914 6.19798 numMergedOcc 0
25 mol 212 unq 2 iso 0 dist 7.90906 11.9025 5.50658 17.8652 10.2513 7.24895 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.84195 14.9354 7.37478 11.7095 5.89415 8.98854 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 7.84195 14.9354 7.37478 22.5481 15.1378 9.42255 numMergedOcc 0
28 mol 279 unq 2 iso 0 dist 9.2174 6.63427 7.37478 13.7 5.89415 8.98854 numMergedOcc 0
29 mol 279 unq 3 iso 0 dist 9.2174 6.63427 7.37478 15.2851 15.1378 9.42255 numMergedOcc 0
30 mol 279 unq 4 iso 0 dist 5.65882 5.03816 5.81528 5.21664 8.43508 7.17958 numMergedOcc 0
