0 mol 21 unq 0 iso 0 dist 7.31253 9.83589 3.5175 8.7443 4.71732 5.70796 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.67926 6.77987 4.61395 7.63824 10.9551 7.63404 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.50646 8.26586 5.02512 9.57292 4.4417 4.97562 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.50646 9.76234 5.42468 9.57292 4.4417 8.52877 numMergedOcc 0
4 mol 74 unq 0 iso 0 dist 8.18048 7.0427 5.17946 8.4902 8.78878 7.98596 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 7.78459 9.77082 6.67286 7.97266 6.56825 5.38692 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 5.38954 5.20001 6.66127 5.94465 5.11935 9.7683 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 7.7267 8.62413 13.722 8.42277 8.17376 12.7725 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 7.7267 8.62413 13.722 6.26653 6.47582 10.2785 numMergedOcc 0
9 mol 129 unq 2 iso 0 dist 7.7267 6.93102 4.9473 8.42277 8.17376 9.39617 numMergedOcc 0
10 mol 129 unq 3 iso 0 dist 7.7267 6.93102 4.9473 6.26653 6.47582 6.48525 numMergedOcc 0
11 mol 129 unq 4 iso 0 dist 7.7267 8.4375 10.2104 8.42277 8.17376 12.5711 numMergedOcc 0
12 mol 129 unq 5 iso 0 dist 7.7267 8.4375 10.2104 6.26653 6.47582 9.49478 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 9.83634 6.68721 5.47237 6.51748 15.7254 11.6769 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 7.90449 6.58055 14.4546 7.45508 14.793 3.13463 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 7.90449 6.58055 14.4546 5.79883 7.07666 11.0087 numMergedOcc 0
16 mol 294 unq 0 iso 0 dist 7.71392 8.26112 9.6326 8.81999 12.2834 8.14029 numMergedOcc 0
17 mol 294 unq 1 iso 0 dist 7.71392 8.26112 9.6326 4.83062 9.89492 8.10518 numMergedOcc 0
18 mol 294 unq 2 iso 0 dist 7.71392 8.26112 9.6326 5.18334 5.71856 7.97558 numMergedOcc 0
19 mol 294 unq 3 iso 0 dist 5.02677 8.26112 8.17259 8.81999 5.33113 8.14029 numMergedOcc 0
20 mol 294 unq 4 iso 0 dist 5.02677 8.26112 8.17259 4.83062 9.32362 8.10518 numMergedOcc 0
21 mol 294 unq 5 iso 0 dist 5.02677 8.26112 8.17259 5.18334 8.52592 7.97558 numMergedOcc 0
22 mol 294 unq 6 iso 0 dist 7.6859 8.26112 11.4903 8.81999 15.8342 8.14029 numMergedOcc 0
23 mol 294 unq 7 iso 0 dist 7.6859 8.26112 11.4903 4.83062 4.45227 8.10518 numMergedOcc 0
24 mol 294 unq 8 iso 0 dist 7.6859 8.26112 11.4903 5.18334 4.99494 7.97558 numMergedOcc 0
