0 mol 9 unq 0 iso 0 dist 7.32257 9.87669 6.59455 12.4489 6.04312 8.55446 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.32257 9.87669 6.59455 10.0547 6.17866 5.71201 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.55811 11.4245 6.59455 12.2849 6.04312 8.55446 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.55811 11.4245 6.59455 8.48677 6.17866 5.71201 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 8.64915 14.7278 6.59455 12.7732 6.04312 8.55446 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 8.64915 14.7278 6.59455 11.3467 6.17866 5.71201 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 8.48677 11.4245 5.71201 12.2849 10.2644 8.55446 numMergedOcc 0
7 mol 9 unq 7 iso 0 dist 8.48677 11.4245 5.71201 6.55811 6.17866 6.59455 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 7.33768 6.00575 9.69752 7.29868 10.2653 9.36461 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 8.4051 4.33963 4.90592 8.75662 9.62033 8.16324 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 8.4051 17.4067 9.36461 16.8439 10.2653 9.69752 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 7.29868 12.0003 4.90592 15.8209 9.62033 8.16324 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 7.29868 6.00575 9.36461 7.33768 10.2653 9.69752 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 8.60554 11.2106 4.90592 9.44691 9.62033 8.16324 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 8.60554 5.97304 9.36461 12.9284 10.2653 9.69752 numMergedOcc 0
15 mol 24 unq 7 iso 0 dist 8.75662 4.33963 8.16324 8.4051 9.62033 4.90592 numMergedOcc 0
16 mol 24 unq 8 iso 0 dist 9.44691 11.2106 8.16324 8.60554 9.62033 4.90592 numMergedOcc 0
17 mol 105 unq 0 iso 0 dist 9.06288 5.15287 7.71923 12.4195 4.32675 9.87821 numMergedOcc 0
18 mol 105 unq 1 iso 0 dist 9.06288 5.15287 7.71923 9.38974 6.37217 7.09806 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 9.11344 4.99056 8.8562 12.7677 12.3703 7.91683 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 6.52773 3.78311 8.8562 9.23858 12.3703 7.91683 numMergedOcc 0
21 mol 119 unq 2 iso 0 dist 9.23858 3.78311 7.91683 6.52773 12.3703 8.8562 numMergedOcc 0
22 mol 126 unq 0 iso 0 dist 6.30546 5.5703 5.94233 10.0699 6.71205 8.56219 numMergedOcc 0
23 mol 126 unq 1 iso 0 dist 6.29233 9.71711 8.56219 11.4486 6.71205 5.94233 numMergedOcc 0
24 mol 130 unq 0 iso 0 dist 8.78276 13.4409 9.13191 19.1674 12.2217 6.95405 numMergedOcc 0
25 mol 130 unq 1 iso 0 dist 7.88805 9.44878 9.13191 15.7868 12.2217 6.95405 numMergedOcc 0
26 mol 130 unq 2 iso 0 dist 7.96646 14.206 9.13191 17.6058 12.2217 6.95405 numMergedOcc 0
27 mol 130 unq 3 iso 0 dist 7.90048 4.28797 9.13191 9.99802 12.2217 6.95405 numMergedOcc 0
28 mol 130 unq 4 iso 0 dist 9.99802 4.28797 6.95405 7.90048 12.2217 9.13191 numMergedOcc 0
29 mol 131 unq 0 iso 0 dist 9.90168 5.89022 5.56627 11.8327 5.37172 8.92828 numMergedOcc 0
30 mol 131 unq 1 iso 0 dist 9.90168 9.32969 8.50562 11.8327 5.37172 5.44303 numMergedOcc 0
31 mol 135 unq 0 iso 0 dist 5.62052 5.66293 9.40325 7.90563 6.35752 7.62606 numMergedOcc 0
32 mol 135 unq 1 iso 0 dist 7.90563 5.66293 7.62606 5.62052 6.35752 9.40325 numMergedOcc 0
33 mol 135 unq 2 iso 0 dist 7.85645 10.1275 9.40325 8.97655 6.35752 7.62606 numMergedOcc 0
34 mol 135 unq 3 iso 0 dist 8.97655 10.1275 7.62606 7.85645 6.35752 9.40325 numMergedOcc 0
35 mol 141 unq 0 iso 0 dist 8.10291 11.2667 9.78667 12.5586 6.33946 6.73983 numMergedOcc 0
36 mol 141 unq 1 iso 0 dist 8.10291 11.2667 9.78667 17.6845 12.8394 7.64956 numMergedOcc 0
37 mol 141 unq 2 iso 0 dist 8.10291 7.52924 8.47026 12.5586 6.33946 8.6387 numMergedOcc 0
38 mol 141 unq 3 iso 0 dist 9.97343 13.8236 7.64956 18.8624 12.8394 9.78667 numMergedOcc 0
39 mol 141 unq 4 iso 0 dist 9.97343 13.8236 7.64956 13.5519 6.59975 6.73983 numMergedOcc 0
40 mol 141 unq 5 iso 0 dist 9.70413 6.30121 7.64956 15.4264 12.8394 9.78667 numMergedOcc 0
41 mol 141 unq 6 iso 0 dist 9.70413 6.30121 7.64956 11.7346 6.59975 6.73983 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 9.39352 4.24624 9.71028 10.7017 6.91059 8.05247 numMergedOcc 0
43 mol 175 unq 1 iso 0 dist 9.77896 11.3554 5.89564 14.2813 6.75531 5.60528 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 9.07471 6.42798 9.08955 9.8062 6.85131 8.88664 numMergedOcc 0
45 mol 222 unq 1 iso 0 dist 9.07471 6.42798 9.08955 10.6381 6.76935 7.16819 numMergedOcc 0
46 mol 226 unq 0 iso 0 dist 8.80683 10.142 6.26945 16.0797 9.75764 6.37744 numMergedOcc 0
47 mol 226 unq 1 iso 0 dist 6.11704 6.05184 6.26945 12.2318 9.75764 6.37744 numMergedOcc 0
48 mol 226 unq 2 iso 0 dist 9.83827 5.96825 6.37744 9.8334 9.75764 6.26945 numMergedOcc 0
49 mol 232 unq 0 iso 0 dist 9.05071 14.8035 8.28466 14.7246 5.77703 7.38566 numMergedOcc 0
50 mol 237 unq 0 iso 0 dist 7.41478 5.65087 6.07878 10.985 5.62416 7.80422 numMergedOcc 0
51 mol 237 unq 1 iso 0 dist 7.41478 5.65087 6.07878 9.20822 8.65228 5.06628 numMergedOcc 0
52 mol 237 unq 2 iso 0 dist 9.20822 5.65087 5.06628 7.41478 8.65228 6.07878 numMergedOcc 0
53 mol 237 unq 3 iso 0 dist 9.20822 5.65087 5.06628 10.985 6.60537 7.80422 numMergedOcc 0
54 mol 237 unq 4 iso 0 dist 9.16003 7.80935 9.54499 11.4712 6.08027 9.36216 numMergedOcc 0
55 mol 237 unq 5 iso 0 dist 9.16003 5.51666 5.6703 11.4712 6.08027 8.72819 numMergedOcc 0
56 mol 237 unq 6 iso 0 dist 6.99315 15.2418 9.36216 11.598 6.08027 9.54499 numMergedOcc 0
57 mol 237 unq 7 iso 0 dist 6.99315 15.1884 8.72819 11.598 6.08027 5.6703 numMergedOcc 0
58 mol 237 unq 8 iso 0 dist 9.60163 5.12181 9.36216 12.4388 6.08027 9.54499 numMergedOcc 0
59 mol 237 unq 9 iso 0 dist 9.60163 9.52569 8.72819 12.4388 6.08027 5.6703 numMergedOcc 0
