0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 11.4481 7.88043 10.2446 9.85147 5.99972 12.0193 7.25346 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.8464 5.0893 8.41585 13.9708 8.80762 12.3097 9.85147 5.99972 12.0193 10.0658 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 7.39648 7.33422 6.82174 13.5302 7.54568 10.2865 6.85215 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 7.39648 7.33422 7.91778 13.5302 7.54568 8.09967 6.85215 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 7.39648 7.33422 10.121 13.5302 7.54568 4.65335 6.85215 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.11695 14.4144 9.33898 10.9332 6.61823 6.08245 4.92054 8.91313 17.5889 14.4996 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.11695 14.4144 9.33898 10.9332 6.61823 6.08245 6.7197 8.16392 10.8304 6.90324 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 7.11695 14.4144 9.33898 8.98815 6.49956 6.86728 4.92054 8.91313 17.5889 12.0757 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 7.11695 14.4144 9.33898 8.98815 6.49956 6.86728 6.7197 8.16392 10.8304 7.64508 numMergedOcc 0
9 mol 92 unq 4 iso 0 dist 7.11695 9.54167 9.64443 10.9332 6.61823 7.24315 4.92054 8.91313 13.3881 14.4996 numMergedOcc 0
10 mol 92 unq 5 iso 0 dist 7.11695 9.54167 9.64443 10.9332 6.61823 7.24315 6.7197 8.16392 5.90097 6.90324 numMergedOcc 0
11 mol 92 unq 6 iso 0 dist 7.11695 9.54167 9.64443 8.98815 6.49956 12.163 4.92054 8.91313 13.3881 12.0757 numMergedOcc 0
12 mol 92 unq 7 iso 0 dist 7.11695 9.54167 9.64443 8.98815 6.49956 12.163 6.7197 8.16392 5.90097 7.64508 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 9.41191 12.7291 8.69985 4.70745 5.34214 9.14441 13.7792 7.80523 7.74599 10.8469 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 8.59695 6.13737 5.83384 7.36759 8.03372 6.67948 7.72162 9.36851 10.7293 6.84211 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 8.59695 6.13737 5.83384 7.36759 8.03372 6.67948 7.95267 4.97175 7.29399 4.53459 numMergedOcc 0
16 mol 129 unq 2 iso 0 dist 6.42706 5.12351 5.83384 7.79894 8.03372 6.67948 13.0193 9.36851 10.7293 6.84211 numMergedOcc 0
17 mol 129 unq 3 iso 0 dist 6.42706 5.12351 5.83384 7.79894 8.03372 6.67948 8.03693 4.97175 7.29399 4.53459 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 8.97762 9.74121 6.29155 6.3168 6.76699 5.74088 11.4871 6.16242 4.54648 9.34112 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 6.20072 5.53031 5.35679 12.3839 7.80532 7.41674 8.98004 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 6.20072 5.53031 8.46636 12.3839 7.80532 9.87376 8.98004 numMergedOcc 0
21 mol 170 unq 0 iso 0 dist 9.32245 6.45787 9.76807 11.0716 8.15099 7.72147 4.11212 6.35982 4.34698 7.29587 numMergedOcc 0
22 mol 170 unq 1 iso 0 dist 9.32245 6.45787 9.76807 11.0716 8.15099 7.72147 9.2613 7.51126 5.75144 8.73585 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 9.44947 10.5243 7.10633 4.80028 6.85441 8.17229 4.29037 9.68728 7.67571 5.42649 numMergedOcc 0
24 mol 204 unq 1 iso 0 dist 9.44947 10.2677 8.51516 4.80028 6.85441 5.74707 4.29037 9.68728 10.8573 5.42649 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 6.95682 5.60393 5.28092 7.56138 5.44002 10.3603 8.46033 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 8.95375 6.84704 8.02137 11.157 8.70977 6.3188 11.6019 7.75885 12.7604 10.7023 numMergedOcc 0
27 mol 206 unq 1 iso 0 dist 8.95375 7.72969 9.774 11.157 8.70977 9.9412 11.6019 7.75885 6.45859 10.7023 numMergedOcc 0
28 mol 206 unq 2 iso 0 dist 9.29007 12.4178 8.02137 7.41593 8.70977 6.3188 6.64436 7.75885 12.7604 10.7023 numMergedOcc 0
29 mol 206 unq 3 iso 0 dist 9.29007 9.9578 9.774 7.41593 8.70977 9.9412 6.64436 7.75885 6.45859 10.7023 numMergedOcc 0
30 mol 210 unq 0 iso 0 dist 6.13878 5.4508 6.18308 9.83001 5.37446 9.59996 9.94073 7.10826 5.87279 7.1777 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 6.77368 8.47937 6.00706 6.00427 8.48341 6.03524 6.49768 9.07471 7.75466 7.92402 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 6.77368 10.4837 7.54212 6.00427 8.48341 7.60395 6.49768 9.07471 13.3447 7.92402 numMergedOcc 0
33 mol 222 unq 2 iso 0 dist 7.73634 4.81992 6.00706 10.8503 8.48341 6.03524 10.3035 9.07471 7.75466 7.92402 numMergedOcc 0
34 mol 222 unq 3 iso 0 dist 7.73634 9.69122 7.54212 10.8503 8.48341 7.60395 10.3035 9.07471 13.3447 7.92402 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 5.46736 4.82695 8.34494 9.52353 8.24186 11.7705 6.30638 9.81425 4.3717 9.68666 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 5.46736 4.93623 6.56247 9.52353 8.24186 5.63086 6.30638 9.81425 4.46561 9.68666 numMergedOcc 0
37 mol 234 unq 2 iso 0 dist 5.46736 11.7817 9.36357 9.52353 8.24186 5.6819 6.30638 9.81425 10.641 9.68666 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 7.69358 9.80642 6.97229 11.2853 8.15467 11.6066 10.4922 7.6595 6.7919 6.05037 numMergedOcc 0
