0 mol 21 unq 0 iso 0 dist 9.76497 8.7443 3.36756 14.2035 12.5522 9.35064 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.54999 9.72036 3.83842 6.66552 7.67459 7.80117 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.54999 9.72036 3.83842 14.2962 10.5084 9.79386 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.93939 6.16745 4.40015 4.33482 9.63452 5.7576 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.37034 9.27814 17.0484 11.0215 20.0782 6.2753 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.60091 9.27814 14.189 11.0215 16.1979 6.2753 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 9.69413 6.77993 6.65219 5.22926 7.94379 8.96446 numMergedOcc 0
7 mol 96 unq 0 iso 0 dist 8.40684 6.02608 10.7653 7.54186 14.3928 7.68964 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 5.58346 6.98134 8.89777 6.15779 11.252 7.70636 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 5.58346 6.98134 8.89777 9.13854 10.2448 6.82267 numMergedOcc 0
10 mol 116 unq 2 iso 0 dist 7.09179 6.98134 12.5145 6.15779 13.0535 7.70636 numMergedOcc 0
11 mol 116 unq 3 iso 0 dist 7.09179 6.98134 12.5145 9.13854 14.0474 6.82267 numMergedOcc 0
12 mol 116 unq 4 iso 0 dist 6.24768 8.55413 8.89777 8.68996 11.252 7.70636 numMergedOcc 0
13 mol 116 unq 5 iso 0 dist 6.24768 8.55413 8.89777 5.50076 10.2448 6.82267 numMergedOcc 0
14 mol 116 unq 6 iso 0 dist 9.31875 8.55413 12.5145 8.68996 13.0535 7.70636 numMergedOcc 0
15 mol 116 unq 7 iso 0 dist 9.31875 8.55413 12.5145 5.50076 14.0474 6.82267 numMergedOcc 0
16 mol 124 unq 0 iso 0 dist 8.45451 8.06631 5.3096 5.20968 8.03603 9.66083 numMergedOcc 0
17 mol 212 unq 0 iso 0 dist 9.50443 8.13391 7.72226 5.73348 12.1883 6.47726 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 7.91999 8.7499 5.38659 5.21669 10.054 9.48261 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 9.19442 7.45508 11.6389 4.30527 8.92121 7.14918 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 9.19442 5.79883 10.1445 4.30527 8.92121 9.29322 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.02002 9.89615 3.80043 13.0142 12.3443 8.90108 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 8.08235 9.89615 4.0143 13.0142 10.2067 8.90108 numMergedOcc 0
23 mol 274 unq 2 iso 0 dist 8.95153 5.77565 4.66969 3.93072 12.6901 8.90108 numMergedOcc 0
24 mol 274 unq 3 iso 0 dist 8.95153 6.32853 5.69247 8.60551 13.1728 7.70811 numMergedOcc 0
25 mol 274 unq 4 iso 0 dist 8.95153 6.32853 5.69247 3.93072 12.6901 9.98144 numMergedOcc 0
26 mol 274 unq 5 iso 0 dist 7.1255 5.77565 4.0143 3.93072 10.2067 8.90108 numMergedOcc 0
27 mol 274 unq 6 iso 0 dist 7.1255 6.32853 3.88948 8.60551 10.4236 7.70811 numMergedOcc 0
28 mol 274 unq 7 iso 0 dist 7.1255 6.32853 3.88948 3.93072 10.2067 9.98144 numMergedOcc 0
29 mol 281 unq 0 iso 0 dist 8.19366 9.34464 4.93084 5.39628 6.47753 9.49871 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 8.57375 7.17276 7.97597 5.72409 6.93798 9.33601 numMergedOcc 0
