0 mol 0 unq 0 iso 0 dist 7.96742 5.55156 11.962 6.82018 12.962 9.5614 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.24206 9.5614 13.3337 6.82018 13.6664 5.55156 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 6.19218 9.5614 6.83587 6.82018 7.19397 5.55156 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 7.19397 5.55156 6.83587 6.82018 6.19218 9.5614 numMergedOcc 0
4 mol 4 unq 0 iso 0 dist 4.88114 6.66589 7.86036 6.21697 10.9924 9.80478 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 7.00677 6.09782 5.29727 12.8594 13.7329 8.62769 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 9.3473 9.10915 9.82646 6.90646 8.14932 8.66921 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 9.3473 9.10915 9.82646 7.89535 11.9527 5.54343 numMergedOcc 0
8 mol 64 unq 2 iso 0 dist 8.14932 8.66921 9.82646 6.90646 9.3473 9.10915 numMergedOcc 0
9 mol 64 unq 3 iso 0 dist 8.14932 8.66921 9.82646 6.36389 11.9527 5.54343 numMergedOcc 0
10 mol 64 unq 4 iso 0 dist 6.17846 8.66921 5.33496 6.90646 10.5812 9.10915 numMergedOcc 0
11 mol 64 unq 5 iso 0 dist 6.17846 8.66921 5.33496 6.36389 6.08228 5.54343 numMergedOcc 0
12 mol 64 unq 6 iso 0 dist 6.08228 5.54343 5.33496 7.89535 10.5812 9.10915 numMergedOcc 0
13 mol 64 unq 7 iso 0 dist 6.08228 5.54343 5.33496 6.36389 6.17846 8.66921 numMergedOcc 0
14 mol 68 unq 0 iso 0 dist 8.76389 5.57389 4.62335 7.08944 10.14 6.87176 numMergedOcc 0
15 mol 75 unq 0 iso 0 dist 7.89636 7.118 6.33557 7.24623 12.2481 7.16583 numMergedOcc 0
16 mol 75 unq 1 iso 0 dist 9.49608 7.118 9.95193 7.24623 15.1992 7.16583 numMergedOcc 0
17 mol 87 unq 0 iso 0 dist 9.10245 5.26938 5.39287 5.38943 12.3515 9.1329 numMergedOcc 0
18 mol 87 unq 1 iso 0 dist 9.10245 5.26938 5.39287 6.69898 10.4317 6.8014 numMergedOcc 0
19 mol 87 unq 2 iso 0 dist 9.10245 8.91602 11.6194 5.38943 12.3515 9.03114 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 7.67341 8.93552 11.909 9.38788 15.2064 6.09472 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 7.67341 8.93552 11.909 7.12394 11.1256 6.20658 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 7.67341 8.35604 5.39296 7.12394 11.1256 7.83568 numMergedOcc 0
23 mol 127 unq 0 iso 0 dist 8.98151 8.62711 6.75619 6.87199 12.2655 7.73139 numMergedOcc 0
24 mol 127 unq 1 iso 0 dist 8.98151 8.62711 6.75619 12.663 13.273 6.66607 numMergedOcc 0
25 mol 162 unq 0 iso 0 dist 8.98459 8.06091 11.0054 10.9385 14.9296 8.15223 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 6.24111 8.07523 5.82028 4.80965 9.00343 7.56882 numMergedOcc 0
27 mol 210 unq 1 iso 0 dist 9.00343 7.56882 5.82028 4.80965 6.24111 8.07523 numMergedOcc 0
28 mol 210 unq 2 iso 0 dist 8.60412 8.07523 4.62641 4.80965 7.05535 7.56882 numMergedOcc 0
29 mol 210 unq 3 iso 0 dist 7.05535 7.56882 4.62641 4.80965 8.60412 8.07523 numMergedOcc 0
30 mol 219 unq 0 iso 0 dist 9.09462 9.68515 8.99881 10.4254 12.5807 8.09769 numMergedOcc 0
31 mol 219 unq 1 iso 0 dist 9.09462 9.68515 8.99881 11.7281 14.9247 6.75833 numMergedOcc 0
32 mol 219 unq 2 iso 0 dist 4.67452 8.09769 10.0509 10.4254 12.0262 9.68515 numMergedOcc 0
33 mol 219 unq 3 iso 0 dist 4.67452 8.09769 10.0509 10.676 14.5528 6.75833 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 7.35148 7.30244 10.48 6.99846 13.8218 9.58343 numMergedOcc 0
35 mol 230 unq 0 iso 0 dist 6.88683 8.33847 6.87235 5.96129 7.43793 9.12305 numMergedOcc 0
36 mol 230 unq 1 iso 0 dist 7.43793 9.12305 6.87235 5.96129 6.88683 8.33847 numMergedOcc 0
37 mol 230 unq 2 iso 0 dist 8.4739 9.12305 9.94041 5.96129 11.0296 8.33847 numMergedOcc 0
38 mol 253 unq 0 iso 0 dist 9.58767 8.07341 11.4733 5.50591 11.4455 8.53729 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 6.08181 8.81059 13.8694 7.64421 13.3732 7.9357 numMergedOcc 0
40 mol 258 unq 1 iso 0 dist 6.08181 9.12006 14.0402 16.5108 22.2227 9.47519 numMergedOcc 0
41 mol 258 unq 2 iso 0 dist 6.08181 9.12006 14.0402 7.64421 13.3732 5.79537 numMergedOcc 0
42 mol 258 unq 3 iso 0 dist 7.70189 8.81059 9.22664 7.64421 12.9422 7.9357 numMergedOcc 0
43 mol 258 unq 4 iso 0 dist 7.70189 9.12006 13.0489 16.5108 20.0893 9.47519 numMergedOcc 0
44 mol 258 unq 5 iso 0 dist 7.70189 9.12006 13.0489 7.64421 12.9422 5.79537 numMergedOcc 0
45 mol 261 unq 0 iso 0 dist 9.70222 7.6414 11.544 4.70691 14.3042 8.50313 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 9.07452 6.21831 6.57235 10.1431 6.44266 8.3291 numMergedOcc 0
47 mol 274 unq 1 iso 0 dist 7.21004 6.21831 4.97216 10.1431 8.75703 8.3291 numMergedOcc 0
48 mol 274 unq 2 iso 0 dist 6.44266 8.3291 6.57235 10.1431 9.07452 6.21831 numMergedOcc 0
49 mol 274 unq 3 iso 0 dist 8.75703 8.3291 4.97216 10.1431 7.21004 6.21831 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 7.319 9.6147 13.2117 6.22487 12.6224 6.47376 numMergedOcc 0
51 mol 279 unq 1 iso 0 dist 5.78017 6.47376 5.34376 6.22487 6.12742 9.6147 numMergedOcc 0
52 mol 279 unq 2 iso 0 dist 6.12742 9.6147 5.34376 6.22487 5.78017 6.47376 numMergedOcc 0
53 mol 279 unq 3 iso 0 dist 9.45886 9.6147 10.0132 6.22487 10.7201 6.47376 numMergedOcc 0
54 mol 279 unq 4 iso 0 dist 8.78203 6.47376 5.86731 6.22487 13.8375 9.6147 numMergedOcc 0
55 mol 280 unq 0 iso 0 dist 7.02503 8.40961 8.10688 6.56107 9.18164 9.42213 numMergedOcc 0
56 mol 280 unq 1 iso 0 dist 9.18164 9.42213 8.10688 6.56107 7.02503 8.40961 numMergedOcc 0
57 mol 281 unq 0 iso 0 dist 6.7897 9.48968 5.71767 7.20467 10.2015 9.64422 numMergedOcc 0
58 mol 287 unq 0 iso 0 dist 8.04003 9.22306 5.64519 8.53973 11.2448 7.30618 numMergedOcc 0
59 mol 288 unq 0 iso 0 dist 8.04003 9.22306 5.64519 8.53973 11.2448 7.30618 numMergedOcc 0
60 mol 289 unq 0 iso 0 dist 8.04003 9.22306 5.64519 8.53973 11.2448 7.30618 numMergedOcc 0
