0 mol 46 unq 0 iso 0 dist 9.14996 9.47718 14.9502 5.76869 7.35107 8.85515 numMergedOcc 0
1 mol 46 unq 0 iso 1 dist 9.47718 9.14996 14.9502 5.76869 8.85515 7.35107 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 9.14996 9.47718 14.9502 7.70084 14.2994 13.2356 numMergedOcc 0
3 mol 46 unq 1 iso 1 dist 9.47718 9.14996 14.9502 7.70084 13.2356 14.2994 numMergedOcc 0
4 mol 46 unq 2 iso 0 dist 9.14996 8.9459 16.2907 5.76869 7.35107 10.1002 numMergedOcc 0
5 mol 46 unq 2 iso 1 dist 8.9459 9.14996 16.2907 5.76869 10.1002 7.35107 numMergedOcc 0
6 mol 46 unq 3 iso 0 dist 9.14996 8.9459 16.2907 7.70084 14.2994 4.16289 numMergedOcc 0
7 mol 46 unq 3 iso 1 dist 8.9459 9.14996 16.2907 7.70084 4.16289 14.2994 numMergedOcc 0
8 mol 46 unq 2 iso 0 dist 9.47718 8.9459 10.9654 5.76869 8.85515 10.1002 numMergedOcc 0
9 mol 46 unq 2 iso 1 dist 8.9459 9.47718 10.9654 5.76869 10.1002 8.85515 numMergedOcc 0
10 mol 46 unq 3 iso 0 dist 9.47718 8.9459 10.9654 7.70084 13.2356 4.16289 numMergedOcc 0
11 mol 46 unq 3 iso 1 dist 8.9459 9.47718 10.9654 7.70084 4.16289 13.2356 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.59503 9.61119 7.25233 4.98783 13.8441 14.4048 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 9.61119 9.59503 7.25233 4.98783 14.4048 13.8441 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 7.5447 9.04757 11.4601 6.96837 7.1643 9.30415 numMergedOcc 0
15 mol 163 unq 0 iso 1 dist 9.04757 7.5447 11.4601 6.96837 9.30415 7.1643 numMergedOcc 0
16 mol 185 unq 0 iso 0 dist 9.52252 9.56016 9.83918 7.55408 12.984 8.59489 numMergedOcc 0
17 mol 185 unq 0 iso 1 dist 9.56016 9.52252 9.83918 7.55408 8.59489 12.984 numMergedOcc 0
18 mol 185 unq 1 iso 0 dist 7.92501 8.27418 6.40496 8.38127 8.59489 4.29924 numMergedOcc 0
19 mol 185 unq 1 iso 1 dist 8.27418 7.92501 6.40496 8.38127 4.29924 8.59489 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 9.80584 7.95713 4.45982 9.9224 14.5078 10.161 numMergedOcc 0
21 mol 192 unq 0 iso 1 dist 7.95713 9.80584 4.45982 9.9224 10.161 14.5078 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 7.82564 9.91136 5.15729 5.83646 5.12308 4.29839 numMergedOcc 0
23 mol 238 unq 0 iso 1 dist 9.91136 7.82564 5.15729 5.83646 4.29839 5.12308 numMergedOcc 0
24 mol 244 unq 0 iso 0 dist 5.06669 5.65248 6.37954 8.19381 8.71894 8.52699 numMergedOcc 0
25 mol 244 unq 0 iso 1 dist 5.65248 5.06669 6.37954 8.19381 8.52699 8.71894 numMergedOcc 0
26 mol 244 unq 1 iso 0 dist 5.06669 5.65248 6.37954 8.93421 7.94286 12.4452 numMergedOcc 0
27 mol 244 unq 1 iso 1 dist 5.65248 5.06669 6.37954 8.93421 12.4452 7.94286 numMergedOcc 0
28 mol 244 unq 2 iso 0 dist 5.06669 5.65248 6.37954 7.35657 5.36127 11.2736 numMergedOcc 0
29 mol 244 unq 2 iso 1 dist 5.65248 5.06669 6.37954 7.35657 11.2736 5.36127 numMergedOcc 0
30 mol 244 unq 3 iso 0 dist 5.06669 5.65248 6.37954 6.19605 6.81518 7.59011 numMergedOcc 0
31 mol 244 unq 3 iso 1 dist 5.65248 5.06669 6.37954 6.19605 7.59011 6.81518 numMergedOcc 0
32 mol 247 unq 0 iso 0 dist 9.65548 8.05213 7.30919 7.85081 12.2609 5.57603 numMergedOcc 0
33 mol 247 unq 0 iso 1 dist 8.05213 9.65548 7.30919 7.85081 5.57603 12.2609 numMergedOcc 0
34 mol 247 unq 1 iso 0 dist 9.65548 8.67304 15.059 7.85081 12.2609 8.53302 numMergedOcc 0
35 mol 247 unq 1 iso 1 dist 8.67304 9.65548 15.059 7.85081 8.53302 12.2609 numMergedOcc 0
36 mol 247 unq 1 iso 0 dist 8.05213 8.67304 10.6641 7.85081 5.57603 8.53302 numMergedOcc 0
37 mol 247 unq 1 iso 1 dist 8.67304 8.05213 10.6641 7.85081 8.53302 5.57603 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 5.30455 6.8184 5.25523 9.03983 9.69102 4.76806 numMergedOcc 0
39 mol 259 unq 0 iso 1 dist 6.8184 5.30455 5.25523 9.03983 4.76806 9.69102 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 8.35169 7.7557 8.77381 7.40069 4.41308 5.43452 numMergedOcc 0
41 mol 292 unq 0 iso 1 dist 7.7557 8.35169 8.77381 7.40069 5.43452 4.41308 numMergedOcc 0
