0 mol 7 unq 0 iso 0 dist 6.36911 9.68596 13.0969 13.2247 9.36807 12.9581 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.21493 7.07399 6.33828 9.03536 7.12903 11.7302 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.23643 7.75618 14.4867 5.03957 8.73972 12.3215 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.20943 8.40416 11.4087 7.83352 6.00439 15.4288 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.20943 8.40416 11.4087 7.67038 7.82528 7.75618 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 7.82528 7.75618 11.4087 10.8007 6.00439 15.4288 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 7.82528 7.75618 11.4087 7.67038 6.20943 8.40416 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 8.58657 6.41423 5.90856 7.07775 9.80108 10.741 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.82012 6.46104 4.98603 13.2136 9.16962 10.177 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 9.43442 9.53378 8.70414 5.48601 7.06308 10.862 numMergedOcc 0
10 mol 45 unq 1 iso 0 dist 9.43442 9.53378 8.70414 5.101 6.34173 10.6216 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 8.26899 7.21955 10.8421 7.08557 9.33535 13.2397 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 8.63333 9.92355 12.0055 5.35073 8.89374 7.68678 numMergedOcc 0
13 mol 58 unq 2 iso 0 dist 8.63333 9.92355 12.0055 10.8153 6.46761 14.171 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 8.63333 9.92355 12.0055 14.5953 9.73139 20.1318 numMergedOcc 0
15 mol 58 unq 4 iso 0 dist 8.89374 7.68678 12.0055 5.35073 8.63333 9.92355 numMergedOcc 0
16 mol 58 unq 5 iso 0 dist 8.89374 7.68678 12.0055 8.62958 6.46761 14.171 numMergedOcc 0
17 mol 58 unq 6 iso 0 dist 8.89374 7.68678 12.0055 14.176 9.73139 20.1318 numMergedOcc 0
18 mol 72 unq 0 iso 0 dist 6.77912 9.27838 4.67641 5.36766 8.624 11.1896 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 6.58204 7.01812 10.0891 5.88134 7.75343 8.30845 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 7.75343 8.30845 10.0891 5.88134 6.58204 7.01812 numMergedOcc 0
21 mol 100 unq 2 iso 0 dist 7.75343 8.76378 4.44538 5.88134 6.58204 10.0635 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 5.87358 7.80523 6.89298 4.98336 9.20981 12.2341 numMergedOcc 0
23 mol 114 unq 0 iso 0 dist 8.71128 6.84011 9.23527 5.59517 7.52743 10.0237 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 8.43904 6.73586 7.39626 9.22558 6.19042 11.5311 numMergedOcc 0
25 mol 130 unq 0 iso 0 dist 6.79146 7.88805 6.08911 7.01619 7.66168 7.90048 numMergedOcc 0
26 mol 130 unq 1 iso 0 dist 6.79146 7.88805 6.08911 6.83397 6.89257 11.5527 numMergedOcc 0
27 mol 130 unq 2 iso 0 dist 7.66168 7.90048 6.08911 7.01619 6.79146 7.88805 numMergedOcc 0
28 mol 130 unq 3 iso 0 dist 7.66168 7.90048 6.08911 7.50049 6.89257 11.5527 numMergedOcc 0
29 mol 130 unq 4 iso 0 dist 7.66168 9.99802 11.562 7.01619 6.79146 15.7868 numMergedOcc 0
30 mol 130 unq 5 iso 0 dist 7.66168 9.99802 11.562 7.50049 6.89257 13.6341 numMergedOcc 0
31 mol 130 unq 6 iso 0 dist 9.12581 7.90048 10.0581 7.50049 8.74308 11.5527 numMergedOcc 0
32 mol 130 unq 7 iso 0 dist 9.12581 9.99802 7.20197 7.50049 8.74308 13.6341 numMergedOcc 0
33 mol 131 unq 0 iso 0 dist 6.91348 8.70296 9.93183 6.63273 8.6243 12.6227 numMergedOcc 0
34 mol 131 unq 1 iso 0 dist 6.91348 9.25558 5.90177 6.63273 8.6243 11.586 numMergedOcc 0
35 mol 134 unq 0 iso 0 dist 8.6355 7.80532 14.1488 8.80819 8.79571 10.5252 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 8.6355 7.80532 14.1488 5.00817 5.42582 10.7586 numMergedOcc 0
37 mol 155 unq 0 iso 0 dist 9.87281 8.69157 7.6506 10.6882 9.17284 10.9606 numMergedOcc 0
38 mol 155 unq 1 iso 0 dist 9.87281 8.69157 7.6506 4.66274 8.87452 10.8572 numMergedOcc 0
39 mol 155 unq 2 iso 0 dist 7.39644 6.53347 6.40403 10.7616 7.36102 10.3161 numMergedOcc 0
40 mol 155 unq 3 iso 0 dist 7.36102 7.92304 5.50045 10.7616 7.39644 11.1616 numMergedOcc 0
41 mol 155 unq 4 iso 0 dist 8.65888 8.69157 4.40321 7.01918 7.70572 6.53347 numMergedOcc 0
42 mol 155 unq 5 iso 0 dist 7.70572 6.53347 4.40321 7.01918 8.65888 8.69157 numMergedOcc 0
43 mol 155 unq 6 iso 0 dist 8.27111 8.69157 6.00473 4.66274 7.68368 10.8572 numMergedOcc 0
44 mol 156 unq 0 iso 0 dist 8.47155 6.30021 10.0003 5.76755 9.36805 9.47433 numMergedOcc 0
45 mol 156 unq 1 iso 0 dist 8.47155 6.30021 10.0003 7.60354 7.55203 13.0431 numMergedOcc 0
46 mol 156 unq 2 iso 0 dist 9.36805 9.44367 10.143 5.76755 8.47155 13.5699 numMergedOcc 0
47 mol 156 unq 3 iso 0 dist 9.36805 9.44367 10.143 8.38403 7.55203 10.3379 numMergedOcc 0
48 mol 156 unq 4 iso 0 dist 9.36805 9.47433 10.0003 5.76755 8.47155 6.30021 numMergedOcc 0
49 mol 156 unq 5 iso 0 dist 9.36805 9.47433 10.0003 8.38403 7.55203 13.0431 numMergedOcc 0
50 mol 184 unq 0 iso 0 dist 9.52936 6.42735 7.4793 5.43299 9.15417 10.3218 numMergedOcc 0
51 mol 194 unq 0 iso 0 dist 6.47873 8.65535 10.7231 8.48054 8.38695 13.9101 numMergedOcc 0
52 mol 213 unq 0 iso 0 dist 9.59129 7.37798 12.1116 13.7995 8.45368 16.5606 numMergedOcc 0
53 mol 213 unq 1 iso 0 dist 9.59129 7.73322 9.93085 13.7995 8.45368 16.3542 numMergedOcc 0
54 mol 218 unq 0 iso 0 dist 7.17547 6.1951 7.21048 7.83217 7.13323 10.8165 numMergedOcc 0
55 mol 232 unq 0 iso 0 dist 7.07392 8.50102 10.9886 4.96364 9.62952 12.3651 numMergedOcc 0
56 mol 234 unq 0 iso 0 dist 6.25105 9.81425 13.0631 5.88703 7.85175 13.293 numMergedOcc 0
57 mol 235 unq 0 iso 0 dist 9.58736 9.55668 13.128 9.85037 9.43058 10.076 numMergedOcc 0
58 mol 235 unq 1 iso 0 dist 9.58736 9.55668 13.128 13.6669 8.75735 14.3922 numMergedOcc 0
59 mol 235 unq 2 iso 0 dist 9.58736 9.55668 13.128 16.4493 6.98084 18.022 numMergedOcc 0
60 mol 235 unq 3 iso 0 dist 9.58736 9.55668 13.128 15.4 7.32211 20.3456 numMergedOcc 0
61 mol 235 unq 4 iso 0 dist 9.43058 9.21736 17.5445 9.85037 9.58736 16.0017 numMergedOcc 0
62 mol 235 unq 5 iso 0 dist 9.43058 9.21736 17.5445 5.52217 8.75735 12.7671 numMergedOcc 0
63 mol 235 unq 6 iso 0 dist 9.43058 9.21736 17.5445 14.4362 6.98084 21.4563 numMergedOcc 0
64 mol 235 unq 7 iso 0 dist 9.43058 9.21736 17.5445 14.4107 7.32211 23.1793 numMergedOcc 0
65 mol 235 unq 8 iso 0 dist 6.98084 8.69356 11.921 16.4493 9.58736 19.3751 numMergedOcc 0
66 mol 235 unq 9 iso 0 dist 6.98084 8.69356 11.921 14.4362 9.43058 21.2475 numMergedOcc 0
67 mol 235 unq 10 iso 0 dist 6.98084 8.69356 11.921 11.3519 8.75735 19.1675 numMergedOcc 0
68 mol 235 unq 11 iso 0 dist 6.98084 8.69356 11.921 7.218 7.32211 10.3932 numMergedOcc 0
69 mol 238 unq 0 iso 0 dist 9.29858 9.24557 10.3809 10.1648 9.68513 10.1217 numMergedOcc 0
70 mol 238 unq 1 iso 0 dist 9.90142 7.57812 10.3147 5.40359 5.9216 10.1217 numMergedOcc 0
71 mol 238 unq 2 iso 0 dist 9.90142 8.69104 15.6823 5.40359 5.9216 13.492 numMergedOcc 0
72 mol 238 unq 3 iso 0 dist 6.05141 8.94014 11.5793 5.6348 8.09066 7.02333 numMergedOcc 0
73 mol 238 unq 4 iso 0 dist 6.05141 8.94014 11.5793 8.87326 7.2766 8.67864 numMergedOcc 0
74 mol 238 unq 5 iso 0 dist 8.14172 7.02333 4.38002 5.31152 6.77463 8.67864 numMergedOcc 0
75 mol 238 unq 6 iso 0 dist 8.09066 7.02333 11.5793 5.6348 6.05141 8.94014 numMergedOcc 0
76 mol 238 unq 7 iso 0 dist 8.09066 7.02333 11.5793 5.31152 7.2766 8.67864 numMergedOcc 0
77 mol 238 unq 8 iso 0 dist 6.77463 8.67864 4.38002 5.31152 8.14172 7.02333 numMergedOcc 0
78 mol 238 unq 9 iso 0 dist 7.2766 8.67864 11.5793 8.87326 6.05141 8.94014 numMergedOcc 0
79 mol 238 unq 10 iso 0 dist 7.2766 8.67864 11.5793 5.31152 8.09066 7.02333 numMergedOcc 0
80 mol 240 unq 0 iso 0 dist 6.15305 6.68687 9.66581 4.28414 7.03489 10.5594 numMergedOcc 0
81 mol 249 unq 0 iso 0 dist 8.83735 5.48118 10.639 8.34718 8.96876 10.0024 numMergedOcc 0
