0 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 10.7937 8.72114 10.1959 12.8628 11.8172 14.9635 6.02702 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 7.97177 8.53529 5.65816 13.8619 12.4076 6.82379 7.03958 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 4.92734 9.91124 7.3915 7.97177 8.53529 5.65816 6.57999 8.4069 10.6335 7.18019 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 4.92734 9.91124 7.3915 7.97177 8.53529 5.65816 12.3088 12.9016 11.7258 8.44009 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.16444 6.84888 7.05346 5.86578 7.32257 8.88528 11.4615 6.14147 10.5699 6.55811 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 9.16444 6.84888 7.05346 5.86578 7.32257 8.88528 13.4922 10.5747 12.6235 8.64915 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.20058 12.1567 6.72502 13.4836 8.60554 6.99746 15.5985 14.6259 11.2485 8.4051 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 8.20058 12.1567 6.72502 13.4836 8.60554 6.99746 17.2959 10.0952 10.7114 7.29868 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 8.20058 12.1567 6.72502 9.04355 9.44691 7.05541 15.5985 14.6259 11.2485 8.75662 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 6.23095 6.06832 5.81959 12.1434 8.6653 6.61233 11.9439 10.6808 6.90155 7.92503 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 7.00285 10.8678 5.88354 4.81103 5.59328 8.53212 5.85841 10.6225 14.2622 5.78706 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 7.00285 10.8678 5.88354 4.81103 5.59328 8.53212 11.1652 11.4338 13.6237 7.23884 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 7.00285 10.8678 5.88354 4.81103 5.59328 8.53212 11.8527 7.72877 5.74854 7.5242 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 8.02354 13.5865 5.88354 7.22196 5.59328 8.53212 6.78839 10.6225 14.2622 5.78706 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 8.02354 13.5865 5.88354 7.22196 5.59328 8.53212 11.1321 11.4338 13.6237 7.23884 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 8.02354 13.5865 5.88354 7.22196 5.59328 8.53212 13.7128 7.72877 5.74854 7.5242 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 9.25614 6.52773 6.96805 11.5266 4.85907 7.99857 9.11344 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 8.62648 5.50673 6.37542 9.25614 6.52773 4.86811 11.5266 4.85907 10.4631 9.11344 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 5.57904 5.98568 5.53031 12.4426 7.80532 8.98004 11.3191 5.79898 10.0513 5.83771 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 9.47675 7.97183 7.86572 9.00056 9.97343 5.38571 16.9141 11.4307 10.271 9.70413 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 8.99392 8.24693 6.29877 15.1055 11.6409 11.3367 6.64834 numMergedOcc 0
21 mol 171 unq 1 iso 0 dist 7.13441 6.15895 5.10618 8.99392 8.24693 6.29877 12.2067 7.31409 7.71426 5.93786 numMergedOcc 0
22 mol 171 unq 2 iso 0 dist 7.13441 6.15895 5.10618 8.99392 8.24693 6.29877 15.9953 14.1033 11.661 7.36698 numMergedOcc 0
23 mol 171 unq 3 iso 0 dist 7.13441 6.15895 5.10618 5.68701 6.71356 5.90358 12.2067 7.31409 7.71426 8.1344 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 11.3703 9.26504 6.0634 15.8199 10.7531 6.60567 7.36683 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 5.11183 7.57812 4.77308 12.6253 10.0191 7.32982 9.24557 numMergedOcc 0
26 mol 278 unq 0 iso 0 dist 7.58272 12.325 7.67245 4.36832 6.62841 13.537 8.83775 8.29447 12.4198 8.00673 numMergedOcc 0
