0 mol 85 unq 0 iso 0 dist 9.24862 7.59157 5.99046 9.56334 8.15861 11.3242 numMergedOcc 0
1 mol 85 unq 1 iso 0 dist 9.24862 7.59157 5.99046 11.5742 9.27814 8.44 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 9.19143 11.2906 4.86532 9.65792 7.09177 5.21888 numMergedOcc 0
3 mol 91 unq 1 iso 0 dist 9.23907 9.98867 4.86532 11.3286 7.09177 5.21888 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 7.76517 4.85096 6.70158 12.542 8.61597 14.19 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 7.76517 7.09134 7.29701 12.542 8.61597 6.4154 numMergedOcc 0
6 mol 123 unq 0 iso 0 dist 9.61215 6.03683 7.36361 8.3346 8.09682 7.88813 numMergedOcc 0
7 mol 123 unq 1 iso 0 dist 9.61215 6.03683 7.36361 10.1291 8.35926 4.10526 numMergedOcc 0
8 mol 123 unq 2 iso 0 dist 9.61215 6.03683 7.36361 14.6702 7.41568 12.6384 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 7.65424 9.11419 7.57714 6.0008 5.86693 3.84623 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 9.56189 5.9052 6.07708 5.04699 9.31914 8.66075 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 6.06892 5.77163 9.38111 8.98721 8.54982 7.30933 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 6.43416 5.3192 8.88206 8.95992 9.08818 5.34495 numMergedOcc 0
13 mol 218 unq 1 iso 0 dist 6.43416 5.3192 8.88206 10.3622 8.5163 8.27161 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 7.24101 10.0472 6.62283 4.72232 9.31268 13.8952 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 7.24101 10.0651 8.60978 4.72232 9.31268 12.856 numMergedOcc 0
16 mol 255 unq 0 iso 0 dist 5.83014 8.48701 8.33795 3.53487 8.66655 7.93069 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.80478 11.5984 8.58448 15.9206 8.15636 12.1224 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 7.80478 11.5984 8.58448 14.0034 7.86292 7.22206 numMergedOcc 0
19 mol 287 unq 2 iso 0 dist 9.22409 8.8314 8.58448 5.19316 8.15636 12.1224 numMergedOcc 0
20 mol 287 unq 3 iso 0 dist 9.22409 8.8314 8.58448 3.59476 7.86292 7.22206 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.80478 11.5984 8.58448 15.9206 8.15636 12.1224 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 7.80478 11.5984 8.58448 14.0034 7.86292 7.22206 numMergedOcc 0
23 mol 288 unq 2 iso 0 dist 9.22409 8.8314 8.58448 5.19316 8.15636 12.1224 numMergedOcc 0
24 mol 288 unq 3 iso 0 dist 9.22409 8.8314 8.58448 3.59476 7.86292 7.22206 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.80478 11.5984 8.58448 15.9206 8.15636 12.1224 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 7.80478 11.5984 8.58448 14.0034 7.86292 7.22206 numMergedOcc 0
27 mol 289 unq 2 iso 0 dist 9.22409 8.8314 8.58448 5.19316 8.15636 12.1224 numMergedOcc 0
28 mol 289 unq 3 iso 0 dist 9.22409 8.8314 8.58448 3.59476 7.86292 7.22206 numMergedOcc 0
