0 mol 0 unq 0 iso 0 dist 8.24206 7.79534 6.63977 5.25456 7.37981 7.40865 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.19218 7.79534 4.76647 5.25456 7.19621 7.40865 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 5.20237 6.88546 6.10381 5.63041 8.92656 5.89412 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 5.20237 6.88546 6.10381 13.452 12.4777 7.07399 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 9.31149 5.36911 4.74317 6.05535 10.2723 6.72833 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 9.31149 5.36911 4.74317 5.72175 10.6144 6.93532 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 9.54864 8.04272 5.86954 10.0675 13.4395 9.90939 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 6.08228 9.23947 11.3115 5.59762 11.6303 9.97159 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 5.78962 6.93893 9.0185 14.4094 15.8185 9.30539 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.56884 6.15654 7.21296 5.1767 12.9107 6.95572 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.56884 7.89887 9.18931 5.1767 12.9107 7.38677 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 8.67865 6.15654 9.52463 5.1767 4.98104 6.95572 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 8.67865 7.89887 6.07224 5.1767 4.98104 7.38677 numMergedOcc 0
13 mol 92 unq 4 iso 0 dist 8.40148 6.15654 9.30089 5.1767 10.7379 6.95572 numMergedOcc 0
14 mol 92 unq 5 iso 0 dist 8.40148 7.89887 5.77554 5.1767 10.7379 7.38677 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 8.34427 7.32407 4.68204 5.99695 11.5151 9.36851 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 8.34427 6.48695 9.09658 5.99695 11.5151 4.97175 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 9.47945 6.4751 15.864 8.67611 16.8374 6.64834 numMergedOcc 0
18 mol 171 unq 1 iso 0 dist 9.47945 6.4751 15.864 9.28655 18.225 5.93786 numMergedOcc 0
19 mol 171 unq 2 iso 0 dist 9.47945 6.4751 15.864 10.4021 18.4326 8.24693 numMergedOcc 0
20 mol 171 unq 3 iso 0 dist 9.47945 6.4751 15.864 11.8046 20.2616 7.36698 numMergedOcc 0
21 mol 171 unq 4 iso 0 dist 9.47945 5.75085 14.3848 9.28655 18.225 8.1344 numMergedOcc 0
22 mol 171 unq 5 iso 0 dist 9.47945 5.75085 14.3848 10.4021 18.4326 6.71356 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 5.69763 6.57575 6.38935 11.4562 9.48439 6.72379 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 7.38622 9.30761 7.75447 5.55582 7.32478 6.72379 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 8.82165 9.30761 6.38935 5.55582 9.48439 6.72379 numMergedOcc 0
26 mol 197 unq 0 iso 0 dist 8.51118 9.87211 4.91904 8.58314 8.64255 7.50013 numMergedOcc 0
27 mol 197 unq 1 iso 0 dist 8.51118 6.3997 7.59634 8.58314 8.64255 5.81233 numMergedOcc 0
28 mol 197 unq 2 iso 0 dist 6.5 9.87211 6.79468 8.58314 10.499 7.50013 numMergedOcc 0
29 mol 197 unq 3 iso 0 dist 6.5 6.3997 5.31205 8.58314 10.499 5.81233 numMergedOcc 0
30 mol 198 unq 0 iso 0 dist 4.58291 8.28295 5.47473 4.81051 6.47339 6.34616 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 7.00683 9.46973 6.08392 18.5654 15.2431 9.68728 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 7.86207 7.46122 4.39102 10.6943 9.8711 6.59716 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 6.82688 8.27761 5.39184 10.1991 11.1472 8.50102 numMergedOcc 0
34 mol 232 unq 1 iso 0 dist 6.82688 8.27761 5.39184 13.7819 11.2186 9.40808 numMergedOcc 0
35 mol 236 unq 0 iso 0 dist 7.6402 7.13854 6.96377 6.81625 10.818 7.1686 numMergedOcc 0
36 mol 241 unq 0 iso 0 dist 7.41298 9.30143 6.97807 8.4988 11.8952 7.89524 numMergedOcc 0
37 mol 241 unq 1 iso 0 dist 9.99337 9.30143 9.37079 8.4988 11.8978 7.89524 numMergedOcc 0
38 mol 244 unq 0 iso 0 dist 6.51428 9.97458 16.0237 10.5547 16.5923 5.50492 numMergedOcc 0
39 mol 271 unq 0 iso 0 dist 8.07242 5.75889 7.0065 9.63302 14.033 9.70714 numMergedOcc 0
