0 mol 30 unq 0 iso 0 dist 8.609 10.7721 6.95343 9.44073 5.34368 5.61656 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 8.609 10.7721 6.95343 13.6977 6.89466 8.67487 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 6.88974 5.00811 7.27268 11.1688 5.5577 8.83766 numMergedOcc 0
3 mol 30 unq 3 iso 0 dist 5.5814 10.5283 7.27268 10.6133 5.5577 8.83766 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.38387 9.03097 6.79185 13.3732 5.06502 8.92291 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.38387 9.03097 6.79185 12.9363 6.45462 8.37962 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.18305 12.2635 9.79143 11.0671 5.4148 9.33919 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.18305 12.2635 9.79143 13.2599 13.3558 6.43377 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 8.88225 12.2577 6.81209 19.2329 12.6999 7.73058 numMergedOcc 0
9 mol 86 unq 1 iso 0 dist 8.88225 12.2577 6.81209 15.4185 7.03817 8.54122 numMergedOcc 0
10 mol 86 unq 2 iso 0 dist 9.49308 14.195 6.81209 21.4902 12.6999 7.73058 numMergedOcc 0
11 mol 86 unq 3 iso 0 dist 9.49308 14.195 6.81209 16.2124 7.03817 8.54122 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 9.72689 12.3773 6.066 11.4004 5.57085 9.36032 numMergedOcc 0
13 mol 88 unq 1 iso 0 dist 9.72689 12.3773 6.066 19.2119 9.94966 8.3592 numMergedOcc 0
14 mol 88 unq 2 iso 0 dist 7.74197 4.95463 6.066 7.86537 5.57085 9.36032 numMergedOcc 0
15 mol 88 unq 3 iso 0 dist 7.74197 4.95463 6.066 6.35462 9.94966 8.3592 numMergedOcc 0
16 mol 88 unq 4 iso 0 dist 7.86537 4.95463 9.36032 7.74197 5.57085 6.066 numMergedOcc 0
17 mol 88 unq 5 iso 0 dist 7.86537 4.95463 9.36032 6.35462 10.9968 8.3592 numMergedOcc 0
18 mol 88 unq 6 iso 0 dist 6.35462 6.53925 5.96359 14.2965 13.5016 9.30559 numMergedOcc 0
19 mol 88 unq 7 iso 0 dist 6.35462 6.53925 5.96359 10.7802 4.96064 7.48974 numMergedOcc 0
20 mol 88 unq 8 iso 0 dist 6.35462 6.53925 5.96359 13.6768 8.62396 8.40428 numMergedOcc 0
21 mol 88 unq 9 iso 0 dist 6.35462 4.95463 8.3592 7.74197 9.94966 6.066 numMergedOcc 0
22 mol 88 unq 10 iso 0 dist 6.35462 4.95463 8.3592 7.86537 10.9968 9.36032 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 8.4545 10.3156 7.48658 11.7125 9.35561 7.20279 numMergedOcc 0
24 mol 110 unq 0 iso 0 dist 9.73174 10.0775 6.2967 17.3836 8.3284 9.11812 numMergedOcc 0
25 mol 110 unq 1 iso 0 dist 9.73174 10.0775 6.2967 13.0632 4.56913 6.78225 numMergedOcc 0
26 mol 110 unq 2 iso 0 dist 9.65418 9.61503 6.2967 16.3055 8.3284 9.11812 numMergedOcc 0
27 mol 110 unq 3 iso 0 dist 9.65418 9.61503 6.2967 11.6062 4.56913 6.78225 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 6.18763 5.4578 9.70093 5.63005 9.93257 6.69217 numMergedOcc 0
29 mol 119 unq 1 iso 0 dist 5.63005 5.4578 6.69217 6.18763 9.93257 9.70093 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 9.50322 6.00706 9.64695 5.82404 8.18495 4.51266 numMergedOcc 0
31 mol 133 unq 1 iso 0 dist 5.82404 6.00706 4.51266 9.50322 8.18495 9.64695 numMergedOcc 0
32 mol 157 unq 0 iso 0 dist 6.1835 6.8427 8.97404 13.1393 12.4918 7.02823 numMergedOcc 0
33 mol 183 unq 0 iso 0 dist 5.83071 4.94074 7.24772 10.342 6.64382 7.89803 numMergedOcc 0
34 mol 183 unq 1 iso 0 dist 5.83071 4.94074 7.24772 9.82101 7.09808 9.75243 numMergedOcc 0
35 mol 183 unq 2 iso 0 dist 9.82101 4.94074 9.75243 5.83071 7.09808 7.24772 numMergedOcc 0
36 mol 183 unq 3 iso 0 dist 9.82101 4.94074 9.75243 10.342 8.1508 7.89803 numMergedOcc 0
37 mol 206 unq 0 iso 0 dist 9.73892 9.49018 4.90825 13.9248 7.73294 5.52084 numMergedOcc 0
38 mol 206 unq 1 iso 0 dist 8.46319 6.41423 4.90825 9.36079 7.73294 5.52084 numMergedOcc 0
39 mol 206 unq 2 iso 0 dist 9.36079 6.41423 5.52084 8.46319 7.73294 4.90825 numMergedOcc 0
40 mol 206 unq 3 iso 0 dist 9.11298 5.08185 4.90825 7.42904 7.73294 5.52084 numMergedOcc 0
41 mol 206 unq 4 iso 0 dist 7.42904 5.08185 5.52084 9.11298 7.73294 4.90825 numMergedOcc 0
42 mol 219 unq 0 iso 0 dist 4.87446 5.53139 8.69579 10.5566 13.4387 5.40597 numMergedOcc 0
43 mol 219 unq 1 iso 0 dist 4.87446 5.53139 8.69579 9.97512 10.7348 7.66784 numMergedOcc 0
44 mol 219 unq 2 iso 0 dist 4.87446 5.53139 8.69579 7.49235 6.74494 6.71733 numMergedOcc 0
45 mol 219 unq 3 iso 0 dist 7.49235 5.53139 6.71733 10.5566 10.8119 5.40597 numMergedOcc 0
46 mol 219 unq 4 iso 0 dist 7.49235 5.53139 6.71733 9.97512 10.6748 7.66784 numMergedOcc 0
47 mol 219 unq 5 iso 0 dist 7.49235 5.53139 6.71733 4.87446 6.74494 8.69579 numMergedOcc 0
48 mol 234 unq 0 iso 0 dist 7.86368 11.1368 6.35438 12.3151 5.88703 7.72403 numMergedOcc 0
49 mol 234 unq 1 iso 0 dist 7.86368 11.1368 6.35438 11.8838 10.2693 9.57132 numMergedOcc 0
50 mol 244 unq 0 iso 0 dist 7.65388 8.57946 5.29811 14.6785 8.32749 7.27258 numMergedOcc 0
51 mol 264 unq 0 iso 0 dist 7.36905 5.63694 8.29556 9.43335 7.07277 8.47755 numMergedOcc 0
52 mol 274 unq 0 iso 0 dist 9.65265 12.3501 8.11169 14.5086 9.15171 6.32856 numMergedOcc 0
