0 mol 27 unq 0 iso 0 dist 9.76721 13.2287 8.57551 17.257 9.21168 8.81543 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.76721 14.8458 9.32506 17.257 9.21168 5.08283 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 6.11016 5.53815 9.398 4.20737 6.3902 7.74845 numMergedOcc 0
3 mol 35 unq 0 iso 0 dist 5.55901 11.0391 9.03313 4.50401 5.70699 11.779 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.52295 4.66789 9.36759 4.99287 7.32236 4.22382 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 9.52295 9.8284 5.0553 4.99287 7.32236 8.43173 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 4.7864 7.18353 9.57666 5.34876 6.05264 11.982 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 6.59983 5.00567 8.02624 4.85985 7.89895 5.48662 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 9.92579 5.00567 9.63119 4.85985 9.54996 5.48662 numMergedOcc 0
9 mol 68 unq 2 iso 0 dist 9.12636 9.84174 8.02624 4.6006 7.89895 5.48662 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 9.13829 12.314 7.82186 7.77274 6.14769 12.7301 numMergedOcc 0
11 mol 120 unq 1 iso 0 dist 9.13829 14.2862 5.85006 7.77274 6.14769 8.40361 numMergedOcc 0
12 mol 120 unq 2 iso 0 dist 5.90276 9.31366 7.82186 4.95 6.14769 12.7301 numMergedOcc 0
13 mol 120 unq 3 iso 0 dist 5.90276 9.8665 5.85006 4.95 6.14769 8.40361 numMergedOcc 0
14 mol 120 unq 4 iso 0 dist 8.565 14.5868 7.82186 8.23429 6.14769 12.7301 numMergedOcc 0
15 mol 120 unq 5 iso 0 dist 8.565 4.15475 5.85006 8.23429 6.14769 8.40361 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.06801 4.62126 9.87656 4.81561 9.17101 4.57152 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 9.06801 8.90456 5.35463 4.81561 9.17101 10.0143 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 9.19804 13.7645 8.9675 15.6506 9.2828 6.12711 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 6.00793 5.30254 7.78684 9.13316 9.50912 4.49322 numMergedOcc 0
20 mol 167 unq 1 iso 0 dist 6.00793 5.30254 7.78684 4.4 5.74367 5.79931 numMergedOcc 0
21 mol 174 unq 0 iso 0 dist 8.99695 7.31124 4.97597 8.91644 9.79225 9.22406 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 6.94771 6.60799 9.92712 4.74145 7.01486 10.8016 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 6.94771 6.60799 9.92712 3.57693 8.86569 4.07704 numMergedOcc 0
24 mol 220 unq 2 iso 0 dist 6.94771 6.60799 9.92712 9.46392 9.06824 5.41259 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 7.01175 8.61267 9.27812 4.39397 9.96942 9.64323 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 7.50074 14.1041 9.27812 9.47559 9.96942 9.64323 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 6.96758 4.22263 8.64115 6.48043 5.62135 7.69985 numMergedOcc 0
28 mol 283 unq 0 iso 0 dist 7.81415 9.48513 6.69313 4.01355 4.1631 6.51788 numMergedOcc 0
29 mol 286 unq 0 iso 0 dist 8.77242 11.156 9.09717 6.87474 8.74892 5.74706 numMergedOcc 0
