0 mol 0 unq 0 iso 0 dist 9.99338 9.72725 7.05033 14.9294 8.13129 12.5416 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.99338 9.72725 7.05033 15.247 9.07223 15.8082 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.28925 9.87885 5.35168 9.0379 7.5706 10.25 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 6.28925 9.87885 5.35168 13.2247 8.70159 6.1206 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 8.70159 6.1206 5.35168 15.4949 7.5706 10.25 numMergedOcc 0
5 mol 7 unq 3 iso 0 dist 8.70159 6.1206 5.35168 13.2247 6.28925 9.87885 numMergedOcc 0
6 mol 7 unq 4 iso 0 dist 8.70159 7.67927 10.1219 15.4949 7.5706 13.6071 numMergedOcc 0
7 mol 7 unq 5 iso 0 dist 8.70159 7.67927 10.1219 13.2247 6.28925 14.1836 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 5.61656 6.07517 8.74649 5.03351 8.67487 10.442 numMergedOcc 0
9 mol 30 unq 1 iso 0 dist 5.61656 6.07517 8.74649 5.34368 6.95343 6.74179 numMergedOcc 0
10 mol 30 unq 2 iso 0 dist 6.95343 6.74179 8.74649 5.34368 5.61656 6.07517 numMergedOcc 0
11 mol 30 unq 3 iso 0 dist 6.95343 6.74179 8.74649 6.89466 8.67487 10.442 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 8.92291 6.66407 10.0882 5.06502 6.79185 10.0168 numMergedOcc 0
13 mol 43 unq 1 iso 0 dist 8.92291 6.66407 10.0882 5.89973 8.37962 10.9975 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.33919 9.73086 10.4668 5.4148 9.79143 7.4369 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 9.33919 9.73086 10.4668 14.9342 6.43377 12.8207 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 9.79143 8.68662 12.8099 5.4148 9.33919 12.2276 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 9.79143 8.68662 12.8099 13.3558 6.43377 13.8931 numMergedOcc 0
18 mol 73 unq 4 iso 0 dist 9.79143 7.4369 10.4668 5.4148 9.33919 9.73086 numMergedOcc 0
19 mol 73 unq 5 iso 0 dist 9.79143 7.4369 10.4668 13.3558 6.43377 12.8207 numMergedOcc 0
20 mol 73 unq 6 iso 0 dist 6.43377 5.5087 4.25755 14.9342 9.33919 13.3207 numMergedOcc 0
21 mol 73 unq 7 iso 0 dist 6.43377 5.5087 4.25755 13.3558 9.79143 13.8368 numMergedOcc 0
22 mol 73 unq 8 iso 0 dist 6.43377 6.08682 6.08046 14.9342 9.33919 14.498 numMergedOcc 0
23 mol 73 unq 9 iso 0 dist 6.43377 6.08682 6.08046 13.3558 9.79143 14.5999 numMergedOcc 0
24 mol 86 unq 0 iso 0 dist 6.81209 7.90423 11.0058 12.6999 7.73058 18.5932 numMergedOcc 0
25 mol 86 unq 1 iso 0 dist 6.81209 7.90423 11.0058 7.03817 8.54122 14.7611 numMergedOcc 0
26 mol 88 unq 0 iso 0 dist 9.30559 7.51139 9.68157 13.5016 5.96359 13.6401 numMergedOcc 0
27 mol 88 unq 1 iso 0 dist 9.30559 7.51139 9.68157 11.8813 7.48974 14.5667 numMergedOcc 0
28 mol 88 unq 2 iso 0 dist 9.30559 7.51139 9.68157 11.6198 8.40428 16.1334 numMergedOcc 0
29 mol 88 unq 3 iso 0 dist 6.066 7.80898 6.29943 5.57085 9.36032 12.785 numMergedOcc 0
30 mol 88 unq 4 iso 0 dist 6.066 7.80898 6.29943 9.94966 8.3592 13.6401 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 4.5985 9.90751 10.3433 10.8586 8.20656 15.6594 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 4.5985 9.21662 8.59989 10.8586 8.20656 10.5432 numMergedOcc 0
33 mol 119 unq 0 iso 0 dist 9.70093 8.95212 10.9729 9.93257 6.69217 7.64052 numMergedOcc 0
34 mol 119 unq 1 iso 0 dist 6.69217 7.64052 10.9729 9.93257 9.70093 8.95212 numMergedOcc 0
35 mol 133 unq 0 iso 0 dist 4.51266 8.77023 13.2024 8.18495 9.64695 12.5855 numMergedOcc 0
36 mol 213 unq 0 iso 0 dist 8.29133 8.21793 9.56732 5.45334 8.96646 12.9743 numMergedOcc 0
37 mol 213 unq 1 iso 0 dist 8.96646 8.22569 9.80335 5.45334 8.29133 10.9843 numMergedOcc 0
38 mol 219 unq 0 iso 0 dist 5.40597 4.33238 4.27314 7.02195 7.66784 7.83604 numMergedOcc 0
39 mol 219 unq 1 iso 0 dist 5.40597 4.33238 4.27314 13.4387 8.69579 11.734 numMergedOcc 0
40 mol 219 unq 2 iso 0 dist 5.40597 4.33238 4.27314 10.8119 6.71733 10.9627 numMergedOcc 0
41 mol 219 unq 3 iso 0 dist 7.66784 7.83604 4.27314 7.02195 5.40597 4.33238 numMergedOcc 0
42 mol 219 unq 4 iso 0 dist 7.66784 7.83604 4.27314 10.7348 8.69579 11.734 numMergedOcc 0
43 mol 219 unq 5 iso 0 dist 7.66784 7.83604 4.27314 10.6748 6.71733 10.9627 numMergedOcc 0
44 mol 225 unq 0 iso 0 dist 9.31373 8.1945 5.95485 12.0157 8.25629 11.751 numMergedOcc 0
45 mol 225 unq 1 iso 0 dist 9.31373 8.1945 5.95485 15.3446 9.20561 12.0438 numMergedOcc 0
46 mol 225 unq 2 iso 0 dist 9.31373 8.1945 5.95485 13.3965 9.88976 6.50998 numMergedOcc 0
47 mol 225 unq 3 iso 0 dist 9.88976 6.50998 5.95485 12.5593 8.25629 11.751 numMergedOcc 0
48 mol 225 unq 4 iso 0 dist 9.88976 6.50998 5.95485 13.3965 9.31373 8.1945 numMergedOcc 0
49 mol 225 unq 5 iso 0 dist 9.88976 6.50998 5.95485 16.5576 9.20561 12.0438 numMergedOcc 0
50 mol 225 unq 6 iso 0 dist 9.88976 9.09424 13.0993 12.5593 8.25629 19.3923 numMergedOcc 0
51 mol 225 unq 7 iso 0 dist 9.88976 9.09424 13.0993 13.3965 9.31373 14.7849 numMergedOcc 0
52 mol 225 unq 8 iso 0 dist 9.88976 9.09424 13.0993 16.5576 9.20561 15.0845 numMergedOcc 0
53 mol 225 unq 9 iso 0 dist 9.88976 8.14831 17.2402 12.5593 8.25629 19.8879 numMergedOcc 0
54 mol 225 unq 10 iso 0 dist 9.88976 8.14831 17.2402 13.3965 9.31373 21.1757 numMergedOcc 0
55 mol 225 unq 11 iso 0 dist 9.88976 8.14831 17.2402 16.5576 9.20561 21.7963 numMergedOcc 0
56 mol 234 unq 0 iso 0 dist 6.35438 7.81215 4.76962 5.88703 7.72403 11.6391 numMergedOcc 0
57 mol 234 unq 1 iso 0 dist 6.35438 7.81215 4.76962 10.2693 9.57132 5.64285 numMergedOcc 0
58 mol 234 unq 2 iso 0 dist 9.57132 5.64285 4.76962 15.2225 7.72403 11.6391 numMergedOcc 0
59 mol 234 unq 3 iso 0 dist 9.57132 5.64285 4.76962 10.2693 6.35438 7.81215 numMergedOcc 0
60 mol 239 unq 0 iso 0 dist 5.45139 6.73665 7.77371 12.7454 8.10769 13.4991 numMergedOcc 0
61 mol 264 unq 0 iso 0 dist 8.29556 5.90924 4.46882 7.07277 8.47755 5.90058 numMergedOcc 0
62 mol 264 unq 1 iso 0 dist 8.47755 5.90058 4.46882 7.07277 8.29556 5.90924 numMergedOcc 0
63 mol 274 unq 0 iso 0 dist 8.11169 9.30212 10.5817 9.15171 6.32856 11.9912 numMergedOcc 0
64 mol 274 unq 1 iso 0 dist 8.11169 6.4611 14.0768 9.15171 6.32856 12.8334 numMergedOcc 0
