0 mol 8 unq 0 iso 0 dist 8.68949 9.95165 11.3943 15.9496 13.8823 6.82379 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.68949 9.95165 11.3943 14.678 15.0895 6.24978 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.68949 9.95165 11.3943 17.3707 19.7423 9.66439 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.68949 9.95165 11.3943 12.915 17.8323 7.3915 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.01055 8.29595 8.18219 11.8626 6.89519 9.27637 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 8.61976 8.29595 11.9052 11.8626 10.3066 9.27637 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 7.69637 4.61828 5.84111 9.20254 12.0295 6.60423 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 7.69637 4.61828 5.84111 8.8926 13.0586 7.83786 numMergedOcc 0
8 mol 33 unq 0 iso 0 dist 8.04019 5.2746 6.06732 5.62472 12.0359 8.00177 numMergedOcc 0
9 mol 33 unq 1 iso 0 dist 7.44828 5.2746 9.54828 5.62472 5.52992 8.00177 numMergedOcc 0
10 mol 51 unq 0 iso 0 dist 8.84151 9.42071 10.9244 10.1569 16.2856 7.76282 numMergedOcc 0
11 mol 53 unq 0 iso 0 dist 6.70095 8.83047 5.75171 14.3035 12.7909 7.09169 numMergedOcc 0
12 mol 56 unq 0 iso 0 dist 7.43409 6.78356 8.80788 14.6957 15.7264 8.63486 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 7.45777 8.91206 6.88106 12.3394 6.3777 8.03303 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 8.15664 5.22996 8.98815 6.09495 7.11695 6.49956 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 9.3757 7.35503 5.9331 10.0299 12.9747 7.23962 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 9.3757 7.35503 5.9331 9.13496 14.2317 9.00067 numMergedOcc 0
17 mol 112 unq 2 iso 0 dist 9.3757 7.35503 5.9331 10.1793 13.467 9.89499 numMergedOcc 0
18 mol 112 unq 3 iso 0 dist 9.3757 7.35503 5.9331 11.5698 12.5126 7.30204 numMergedOcc 0
19 mol 112 unq 4 iso 0 dist 9.42014 6.48223 5.9331 10.626 12.9747 7.23962 numMergedOcc 0
20 mol 112 unq 5 iso 0 dist 9.42014 6.48223 5.9331 8.19562 14.2317 9.00067 numMergedOcc 0
21 mol 112 unq 6 iso 0 dist 9.42014 6.48223 5.9331 5.71097 13.467 9.89499 numMergedOcc 0
22 mol 112 unq 7 iso 0 dist 9.42014 6.48223 5.9331 5.27363 12.5126 7.30204 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 5.2184 8.84146 6.3404 13.7656 13.0414 7.77116 numMergedOcc 0
24 mol 124 unq 0 iso 0 dist 7.18976 4.83761 6.62221 8.39675 13.6369 8.97264 numMergedOcc 0
25 mol 124 unq 1 iso 0 dist 7.18976 4.83761 6.62221 10.3233 12.5031 8.80896 numMergedOcc 0
26 mol 183 unq 0 iso 0 dist 8.84987 6.40448 9.27924 5.72 12.4753 8.54827 numMergedOcc 0
27 mol 195 unq 0 iso 0 dist 7.2833 5.46768 4.52076 7.00308 10.999 6.60567 numMergedOcc 0
28 mol 195 unq 1 iso 0 dist 7.2833 5.46768 4.52076 5.34788 7.04524 7.62942 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 7.65121 8.768 10.8204 6.89798 13.147 6.6561 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 7.39596 9.3376 10.7216 12.696 12.0016 8.92743 numMergedOcc 0
31 mol 229 unq 1 iso 0 dist 7.39596 9.3376 10.7216 11.6366 14.7928 8.08082 numMergedOcc 0
32 mol 229 unq 2 iso 0 dist 7.39596 9.3376 10.7216 6.44004 9.49008 5.77318 numMergedOcc 0
33 mol 229 unq 3 iso 0 dist 7.39596 9.3376 10.7216 10.442 15.6535 8.19603 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 8.8646 9.98606 16.41 6.01492 14.8032 7.71657 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 9.34051 9.4626 5.53273 7.23876 8.88221 7.52109 numMergedOcc 0
36 mol 282 unq 0 iso 0 dist 5.00258 6.91282 5.63803 11.0508 10.4378 8.0241 numMergedOcc 0
37 mol 282 unq 1 iso 0 dist 8.22117 5.51953 5.63803 7.1564 10.4378 8.0241 numMergedOcc 0
38 mol 282 unq 2 iso 0 dist 9.98886 6.91282 5.58058 11.0508 10.9791 8.0241 numMergedOcc 0
39 mol 282 unq 3 iso 0 dist 6.81887 5.51953 5.58058 7.1564 10.9791 8.0241 numMergedOcc 0
40 mol 294 unq 0 iso 0 dist 6.37998 6.16375 4.35814 6.99988 9.97601 7.91611 numMergedOcc 0
