0 mol 8 unq 0 iso 0 dist 9.91301 5.74143 7.45487 8.25051 9.62879 5.43751 13.8883 9.01112 9.29802 7.12261 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.76968 5.98953 5.84479 4.2139 6.31718 5.35079 5.36195 8.43054 6.04677 4.65873 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.76968 5.98953 5.84479 12.1754 7.63133 6.53177 5.36195 8.43054 6.04677 9.81307 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.11056 13.7241 9.90845 10.4744 8.86116 9.59761 6.40447 8.09311 10.5945 11.6226 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.11056 13.7241 9.90845 10.4744 8.86116 9.59761 3.96014 9.05357 17.5782 13.1949 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.11056 13.7241 9.90845 6.9756 8.38394 9.89489 6.40447 8.09311 10.5945 6.17155 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.11056 13.7241 9.90845 6.9756 8.38394 9.89489 3.96014 9.05357 17.5782 10.3122 numMergedOcc 0
7 mol 38 unq 0 iso 0 dist 5.73067 5.47531 9.23576 5.79134 7.50293 7.35595 5.96514 7.26639 4.57886 4.40004 numMergedOcc 0
8 mol 38 unq 1 iso 0 dist 5.73067 5.47531 9.23576 5.48241 9.91611 8.59794 5.96514 7.26639 4.57886 8.68364 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.36193 7.63046 7.84983 5.40367 6.62496 11.5882 4.99692 9.22598 5.04521 9.87158 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 4.88613 7.63046 9.56737 5.40367 6.35756 11.5882 4.99692 8.96727 5.04521 9.87158 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 4.88613 7.63046 9.56737 5.40367 6.35756 11.5882 3.70586 8.01308 10.2341 5.86526 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 6.90827 13.2842 9.85576 10.4485 7.90328 10.4589 5.61881 8.84018 12.4378 7.20875 numMergedOcc 0
13 mol 117 unq 1 iso 0 dist 6.90827 13.2842 9.85576 5.27151 7.83136 14.2649 5.61881 8.84018 12.4378 3.77029 numMergedOcc 0
14 mol 117 unq 2 iso 0 dist 6.90827 13.2842 9.85576 4.45276 7.0603 9.53886 5.61881 8.84018 12.4378 5.21535 numMergedOcc 0
15 mol 117 unq 3 iso 0 dist 8.90977 12.0106 9.85576 13.8755 7.90328 10.4589 9.58747 8.84018 12.4378 7.20875 numMergedOcc 0
16 mol 117 unq 4 iso 0 dist 8.90977 12.0106 9.85576 10.6616 7.83136 14.2649 9.58747 8.84018 12.4378 3.77029 numMergedOcc 0
17 mol 117 unq 5 iso 0 dist 8.90977 12.0106 9.85576 4.98254 7.0603 9.53886 9.58747 8.84018 12.4378 5.21535 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 6.18763 4.46648 6.49205 5.3154 6.18601 5.19198 5.92411 8.95212 8.22696 4.39676 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 5.63005 12.1048 9.42766 10.5268 8.73993 14.0677 5.92411 7.64052 16.57 9.68677 numMergedOcc 0
20 mol 122 unq 0 iso 0 dist 6.78949 9.13822 8.33083 7.54208 8.37808 12.4383 4.78332 6.00603 12.2162 6.15636 numMergedOcc 0
21 mol 122 unq 1 iso 0 dist 9.40018 3.45209 8.33083 11.0216 8.37808 12.4383 12.4857 6.00603 12.2162 6.15636 numMergedOcc 0
22 mol 127 unq 0 iso 0 dist 9.42513 14.6411 8.40046 8.60326 9.30299 9.75166 8.71432 6.08673 12.1959 12.8087 numMergedOcc 0
23 mol 129 unq 0 iso 0 dist 9.28278 4.99299 6.29026 14.5776 8.54584 11.5533 9.05571 5.51197 4.79473 12.1739 numMergedOcc 0
24 mol 129 unq 1 iso 0 dist 9.28278 4.99299 6.29026 14.5776 8.54584 11.5533 9.63308 6.69691 5.04019 8.26896 numMergedOcc 0
25 mol 129 unq 2 iso 0 dist 9.28278 4.99299 6.29026 14.5776 8.54584 11.5533 14.5546 8.86944 10.1802 5.63254 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 9.51764 15.3761 8.49704 6.28065 9.65138 12.4611 14.8375 7.46481 4.112 11.4955 numMergedOcc 0
27 mol 214 unq 1 iso 0 dist 9.51764 15.3761 8.49704 11.2159 7.14453 11.832 14.8375 7.46481 4.112 8.459 numMergedOcc 0
28 mol 214 unq 2 iso 0 dist 9.51764 15.3761 8.49704 6.53326 8.85478 10.644 14.8375 7.46481 4.112 11.1534 numMergedOcc 0
29 mol 214 unq 3 iso 0 dist 5.36829 8.72971 8.49704 11.7583 9.65138 12.4611 5.47184 7.46481 4.112 11.4955 numMergedOcc 0
30 mol 214 unq 4 iso 0 dist 5.36829 8.72971 8.49704 4.98764 7.14453 11.832 5.47184 7.46481 4.112 8.459 numMergedOcc 0
31 mol 214 unq 5 iso 0 dist 5.36829 8.72971 8.49704 12.3481 8.85478 10.644 5.47184 7.46481 4.112 11.1534 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 5.90645 6.13878 6.77279 4.62072 8.53687 7.55268 9.54522 9.07743 9.90573 6.73882 numMergedOcc 0
33 mol 259 unq 1 iso 0 dist 5.90645 6.13878 6.77279 10.4985 8.13497 5.71237 9.54522 9.07743 9.90573 8.8603 numMergedOcc 0
34 mol 259 unq 2 iso 0 dist 9.54857 5.09929 7.93997 15.3806 7.46176 14.8465 5.49348 5.85442 7.06301 10.067 numMergedOcc 0
35 mol 259 unq 3 iso 0 dist 9.54857 5.09929 7.93997 15.3806 7.46176 14.8465 5.13138 6.95511 7.80863 11.6988 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 9.29635 15.5244 6.90434 10.8075 9.7748 13.2927 12.7269 9.35539 8.51268 11.4555 numMergedOcc 0
37 mol 277 unq 1 iso 0 dist 9.29635 15.5244 6.90434 10.8075 9.7748 13.2927 12.2421 8.9682 13.3706 17.6038 numMergedOcc 0
38 mol 277 unq 2 iso 0 dist 9.29635 15.5244 6.90434 10.8075 9.7748 13.2927 10.9521 6.92711 12.1739 14.772 numMergedOcc 0
