0 mol 8 unq 0 iso 0 dist 4.92734 7.0822 8.33604 7.97177 8.53529 11.4716 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.23095 7.40735 7.685 12.1434 8.6653 12.9735 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.46207 7.35595 8.82012 5.63833 6.46104 4.98603 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 5.26018 9.26324 7.18176 5.09324 6.31696 6.29814 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 7.1203 6.22409 7.18176 10.4823 6.31696 6.29814 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 6.68311 13.1473 6.77912 15.1138 9.27838 4.67641 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.90776 11.7423 7.96555 5.47738 5.37007 6.85455 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 8.92577 7.38658 8.72704 5.48646 7.38135 11.0949 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.56324 15.7025 8.72704 11.0196 7.38135 11.0949 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 5.70279 11.8754 7.75343 10.838 8.30845 10.0891 numMergedOcc 0
10 mol 100 unq 3 iso 0 dist 5.70279 11.8754 7.75343 11.4018 8.76378 4.44538 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.84523 5.38332 5.87358 10.8869 7.80523 6.89298 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 6.35314 9.93612 6.83051 7.64039 6.96281 6.89396 numMergedOcc 0
13 mol 124 unq 1 iso 0 dist 6.35314 9.06209 9.28376 7.64039 6.96281 7.66641 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.99949 9.45501 6.91348 10.5805 8.70296 9.93183 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 8.99949 9.45501 6.91348 8.98062 9.25558 5.90177 numMergedOcc 0
16 mol 131 unq 2 iso 0 dist 8.99949 9.03202 9.51418 10.5805 8.70296 16.5048 numMergedOcc 0
17 mol 131 unq 3 iso 0 dist 8.99949 9.03202 9.51418 8.98062 9.25558 5.70899 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 5.57904 7.26771 8.6355 12.4426 7.80532 14.1488 numMergedOcc 0
19 mol 155 unq 0 iso 0 dist 5.68636 7.441 9.38946 5.52764 7.92304 9.50478 numMergedOcc 0
20 mol 155 unq 1 iso 0 dist 5.68636 6.79302 7.36102 5.52764 7.92304 5.50045 numMergedOcc 0
21 mol 156 unq 0 iso 0 dist 9.19499 11.9162 9.36805 5.02458 9.44367 10.143 numMergedOcc 0
22 mol 156 unq 1 iso 0 dist 9.19499 11.9162 9.36805 15.8724 9.47433 10.0003 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 8.3705 12.124 8.36117 11.3703 9.26504 4.4994 numMergedOcc 0
24 mol 195 unq 1 iso 0 dist 8.3705 6.91511 6.77578 11.3703 9.26504 5.99784 numMergedOcc 0
25 mol 209 unq 0 iso 0 dist 6.14896 4.86181 7.95911 5.78532 6.85935 5.50596 numMergedOcc 0
26 mol 209 unq 1 iso 0 dist 9.12289 7.37293 7.95911 4.84945 6.85935 5.50596 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 5.47561 11.3364 6.82208 10.3328 7.67576 7.39748 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 5.47561 11.3364 6.82208 15.0445 9.82371 5.08928 numMergedOcc 0
29 mol 232 unq 0 iso 0 dist 8.89211 6.12197 7.07392 7.46856 8.50102 10.9886 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 5.67917 10.761 9.90142 5.11183 7.57812 10.3147 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 5.67917 10.761 9.90142 6.32646 8.69104 15.6823 numMergedOcc 0
32 mol 240 unq 0 iso 0 dist 9.68888 13.7594 6.15305 5.24149 6.68687 9.66581 numMergedOcc 0
33 mol 240 unq 1 iso 0 dist 9.68888 5.59975 8.0951 5.24149 6.68687 7.03039 numMergedOcc 0
34 mol 278 unq 0 iso 0 dist 8.83775 9.59763 6.35287 4.36832 8.00673 7.83538 numMergedOcc 0
