0 mol 9 unq 0 iso 0 dist 6.85412 9.62394 4.45625 5.60154 9.29529 9.57198 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.33889 9.62394 6.0397 5.60154 7.2199 9.57198 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.53002 4.30695 11.9464 7.27724 13.9627 7.56871 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 9.53002 6.35398 7.5901 7.85924 5.43238 9.09091 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.78293 7.75618 6.2337 5.5841 9.95011 7.02548 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 8.23643 7.75618 14.4867 5.5841 13.6944 7.02548 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 6.20943 8.40416 11.4087 6.74265 10.7418 7.02548 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 7.82528 7.75618 11.4087 5.5841 10.7418 7.02548 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 8.58657 6.41423 5.90856 4.69858 10.7418 5.82366 numMergedOcc 0
9 mol 26 unq 0 iso 0 dist 8.82012 6.46104 4.98603 11.0099 11.0822 7.3022 numMergedOcc 0
10 mol 32 unq 0 iso 0 dist 8.68559 7.99969 7.14527 6.68431 7.48825 4.62858 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 9.43442 9.53378 8.70414 5.54436 8.59109 5.55096 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 8.26899 7.21955 10.8421 6.75888 8.80108 8.71468 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 9.58673 8.80614 8.88332 13.9007 15.9804 7.6481 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 9.58673 8.80614 8.88332 6.47744 7.01363 9.11258 numMergedOcc 0
15 mol 59 unq 0 iso 0 dist 8.24062 6.73347 7.0313 5.33688 6.5096 9.2902 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 7.96555 5.37007 6.85455 9.97281 13.3416 7.1539 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 8.71128 6.84011 9.23527 5.31367 11.976 8.809 numMergedOcc 0
18 mol 114 unq 1 iso 0 dist 8.71128 6.84011 9.23527 8.88748 10.1737 5.79343 numMergedOcc 0
19 mol 126 unq 0 iso 0 dist 9.5574 6.29233 6.36036 5.15767 10.4559 5.14819 numMergedOcc 0
20 mol 126 unq 1 iso 0 dist 9.5574 5.42406 4.28167 5.15767 10.4559 6.84245 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 6.91348 8.70296 9.93183 7.90484 13.8783 9.2235 numMergedOcc 0
22 mol 131 unq 1 iso 0 dist 9.51418 8.70296 16.5048 7.90484 16.6297 9.2235 numMergedOcc 0
23 mol 155 unq 0 iso 0 dist 9.87281 8.69157 7.6506 5.48883 6.51096 9.0529 numMergedOcc 0
24 mol 155 unq 1 iso 0 dist 9.87281 8.69157 7.6506 8.78665 10.3514 7.55196 numMergedOcc 0
25 mol 155 unq 2 iso 0 dist 9.38946 7.92304 9.50478 6.34186 11.3251 9.80845 numMergedOcc 0
26 mol 155 unq 3 iso 0 dist 7.39644 6.53347 6.40403 9.36596 13.2154 9.0529 numMergedOcc 0
27 mol 155 unq 4 iso 0 dist 7.39644 6.53347 6.40403 5.40375 7.37901 7.55196 numMergedOcc 0
28 mol 155 unq 5 iso 0 dist 7.36102 7.92304 5.50045 6.34186 7.37901 9.80845 numMergedOcc 0
29 mol 155 unq 6 iso 0 dist 8.65888 8.69157 4.40321 5.48883 11.1032 9.0529 numMergedOcc 0
30 mol 155 unq 7 iso 0 dist 8.65888 8.69157 4.40321 8.78665 10.9049 7.55196 numMergedOcc 0
31 mol 155 unq 8 iso 0 dist 7.70572 6.53347 4.40321 9.36596 11.1032 9.0529 numMergedOcc 0
32 mol 155 unq 9 iso 0 dist 7.70572 6.53347 4.40321 5.40375 10.9049 7.55196 numMergedOcc 0
33 mol 155 unq 10 iso 0 dist 8.27111 8.69157 6.00473 5.48883 8.73171 9.0529 numMergedOcc 0
34 mol 155 unq 11 iso 0 dist 8.27111 8.69157 6.00473 8.78665 11.8293 7.55196 numMergedOcc 0
35 mol 156 unq 0 iso 0 dist 7.36119 7.30357 11.9671 5.07967 12.2304 7.30946 numMergedOcc 0
36 mol 156 unq 1 iso 0 dist 9.36805 9.44367 10.143 7.29758 6.90155 5.81122 numMergedOcc 0
37 mol 167 unq 0 iso 0 dist 8.62646 9.67741 7.31643 6.36909 11.5173 7.80054 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 6.94688 8.90963 4.43678 8.25067 8.20656 5.95304 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 6.71012 8.90963 6.03415 8.25067 9.40622 5.95304 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 7.20046 7.99195 4.69841 5.86342 10.5561 9.06217 numMergedOcc 0
41 mol 181 unq 3 iso 0 dist 7.20046 7.99195 4.69841 9.14057 9.94131 7.13252 numMergedOcc 0
42 mol 181 unq 4 iso 0 dist 7.13543 7.99195 7.23063 5.86342 11.7007 9.06217 numMergedOcc 0
43 mol 181 unq 5 iso 0 dist 7.13543 7.99195 7.23063 9.14057 12.8673 7.13252 numMergedOcc 0
44 mol 181 unq 6 iso 0 dist 6.93764 5.9176 5.60306 9.60512 10.7841 5.97685 numMergedOcc 0
45 mol 181 unq 7 iso 0 dist 6.93764 5.9176 5.60306 13.3389 11.1129 8.9289 numMergedOcc 0
46 mol 181 unq 8 iso 0 dist 7.98142 5.94469 8.93991 6.7991 12.2455 7.05653 numMergedOcc 0
47 mol 181 unq 9 iso 0 dist 7.37327 5.94469 5.35588 6.7991 11.691 7.05653 numMergedOcc 0
48 mol 194 unq 0 iso 0 dist 5.48258 6.72379 4.26755 5.38925 10.055 9.3402 numMergedOcc 0
49 mol 194 unq 1 iso 0 dist 6.15769 6.72379 10.0315 5.38925 10.8707 9.3402 numMergedOcc 0
50 mol 224 unq 0 iso 0 dist 8.19953 9.51597 6.99977 7.67202 4.55996 8.08737 numMergedOcc 0
51 mol 232 unq 0 iso 0 dist 7.07392 8.50102 10.9886 8.78722 10.3168 7.17337 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 6.16063 7.32499 7.17691 5.9221 8.49841 7.43663 numMergedOcc 0
53 mol 234 unq 1 iso 0 dist 6.16063 7.32499 7.17691 13.2297 11.8534 7.94068 numMergedOcc 0
54 mol 235 unq 0 iso 0 dist 5.65339 6.95126 4.29892 6.43692 7.27958 7.95766 numMergedOcc 0
55 mol 235 unq 1 iso 0 dist 9.58736 9.55668 13.128 4.65302 11.9287 7.95766 numMergedOcc 0
56 mol 238 unq 0 iso 0 dist 9.29858 9.24557 10.3809 11.0401 16.2894 8.90076 numMergedOcc 0
57 mol 238 unq 1 iso 0 dist 9.29858 9.24557 10.3809 8.85181 12.4232 6.87131 numMergedOcc 0
58 mol 238 unq 2 iso 0 dist 9.29858 9.24557 10.3809 11.9142 16.7658 8.09718 numMergedOcc 0
59 mol 238 unq 3 iso 0 dist 9.90142 7.57812 10.3147 5.11565 14.5719 8.90076 numMergedOcc 0
60 mol 238 unq 4 iso 0 dist 9.90142 7.57812 10.3147 13.0842 14.6581 6.87131 numMergedOcc 0
61 mol 238 unq 5 iso 0 dist 9.90142 7.57812 10.3147 13.171 17.8749 8.09718 numMergedOcc 0
62 mol 238 unq 6 iso 0 dist 9.90142 8.69104 15.6823 5.11565 14.5719 6.62002 numMergedOcc 0
63 mol 238 unq 7 iso 0 dist 9.90142 8.69104 15.6823 13.0842 14.6581 9.69818 numMergedOcc 0
64 mol 238 unq 8 iso 0 dist 9.90142 8.69104 15.6823 13.171 17.8749 6.73446 numMergedOcc 0
65 mol 238 unq 9 iso 0 dist 6.05141 8.94014 11.5793 10.8635 11.5207 7.04753 numMergedOcc 0
66 mol 238 unq 10 iso 0 dist 8.14172 7.02333 4.38002 5.68826 6.00721 7.04753 numMergedOcc 0
67 mol 238 unq 11 iso 0 dist 8.09066 7.02333 11.5793 5.68826 11.5207 7.04753 numMergedOcc 0
68 mol 238 unq 12 iso 0 dist 6.77463 8.67864 4.38002 4.87097 6.00721 7.04753 numMergedOcc 0
69 mol 238 unq 13 iso 0 dist 7.2766 8.67864 11.5793 4.87097 11.5207 7.04753 numMergedOcc 0
