0 mol 0 unq 0 iso 0 dist 6.26831 5.24778 6.64713 10.7845 8.39054 9.38507 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.27637 5.67536 5.71201 10.9235 4.09467 8.59513 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.27637 5.67536 5.71201 6.11048 6.00657 6.59312 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.60423 8.52463 9.36461 16.3188 15.6099 7.85986 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.60423 8.52463 9.36461 12.0986 12.5557 4.30252 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 7.83786 14.6654 9.36461 21.9291 15.6099 7.85986 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 7.83786 14.6654 9.36461 18.4537 12.5557 4.30252 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 4.93188 5.11617 4.90592 8.23075 4.21283 7.85986 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 4.93188 5.11617 4.90592 4.7841 4.97191 4.30252 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 9.24958 13.2229 4.90592 10.551 4.21283 7.85986 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 9.24958 13.2229 4.90592 14.1707 4.97191 4.30252 numMergedOcc 0
11 mol 26 unq 0 iso 0 dist 8.44506 10.9837 9.5053 7.98005 12.4814 9.11311 numMergedOcc 0
12 mol 28 unq 0 iso 0 dist 7.28416 8.4285 7.40415 8.95154 6.37119 5.19518 numMergedOcc 0
13 mol 44 unq 0 iso 0 dist 7.52117 4.55437 7.03307 11.0768 10.0772 6.53981 numMergedOcc 0
14 mol 44 unq 1 iso 0 dist 7.52117 6.16231 7.25707 11.0768 10.0772 9.14809 numMergedOcc 0
15 mol 56 unq 0 iso 0 dist 6.77886 10.0962 6.99108 10.3805 3.91174 9.09425 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 7.27383 5.85698 6.62229 6.79356 6.21346 6.41008 numMergedOcc 0
17 mol 76 unq 0 iso 0 dist 4.79949 4.3931 6.66954 12.3859 10.9502 9.32778 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 8.00777 11.165 8.70863 18.405 14.1233 8.04853 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 8.00777 11.165 8.70863 14.7287 14.3481 6.46549 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 7.1589 9.29301 8.70863 15.4008 14.1233 8.04853 numMergedOcc 0
21 mol 85 unq 3 iso 0 dist 7.1589 9.29301 8.70863 12.1279 14.3481 6.46549 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 8.65802 13.534 8.57827 11.7686 5.19513 9.22418 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 7.99623 7.45148 9.9151 7.60162 8.90156 6.21165 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 8.03372 4.55551 9.94578 12.0878 11.1054 8.98175 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 9.15431 6.51918 5.44303 11.6414 9.93041 8.47526 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 8.86329 10.3369 8.92828 18.6796 16.0667 8.47526 numMergedOcc 0
27 mol 131 unq 2 iso 0 dist 8.71039 7.92788 8.92828 15.2551 16.0667 8.47526 numMergedOcc 0
28 mol 131 unq 3 iso 0 dist 6.92648 7.92788 5.44303 15.2551 9.93041 8.47526 numMergedOcc 0
29 mol 131 unq 4 iso 0 dist 9.29384 13.1439 5.44303 18.8134 9.93041 8.47526 numMergedOcc 0
30 mol 154 unq 0 iso 0 dist 7.72144 5.27847 6.51014 10.5628 4.83835 8.90588 numMergedOcc 0
31 mol 162 unq 0 iso 0 dist 6.20182 4.20425 7.14263 7.93088 5.21512 5.67088 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 9.56197 9.74148 7.46987 14.8324 9.28201 8.72743 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 7.24795 7.30024 7.46987 5.90765 9.28201 8.72743 numMergedOcc 0
34 mol 186 unq 2 iso 0 dist 8.64409 11.6919 7.46987 17.3863 9.28201 8.72743 numMergedOcc 0
35 mol 186 unq 3 iso 0 dist 7.60202 5.3967 7.46987 13.011 9.28201 8.72743 numMergedOcc 0
36 mol 186 unq 4 iso 0 dist 9.83476 10.5063 4.5271 11.8448 6.50208 7.37629 numMergedOcc 0
37 mol 186 unq 5 iso 0 dist 9.83476 10.5063 4.5271 10.0218 6.3786 5.68985 numMergedOcc 0
38 mol 186 unq 6 iso 0 dist 9.83476 14.4429 7.02575 15.2176 8.54557 8.2241 numMergedOcc 0
39 mol 205 unq 0 iso 0 dist 8.44861 13.0658 9.17946 17.68 11.5523 6.81516 numMergedOcc 0
40 mol 205 unq 1 iso 0 dist 8.44861 13.0658 9.17946 11.5794 10.2944 9.17562 numMergedOcc 0
41 mol 205 unq 2 iso 0 dist 5.60393 14.4523 9.17946 16.9049 11.5523 6.81516 numMergedOcc 0
42 mol 205 unq 3 iso 0 dist 5.60393 14.4523 9.17946 13.4668 10.2944 9.17562 numMergedOcc 0
43 mol 222 unq 0 iso 0 dist 9.2581 5.89689 9.08955 10.3894 3.98816 9.30639 numMergedOcc 0
44 mol 222 unq 1 iso 0 dist 9.2581 8.92719 8.88664 10.3894 3.98816 6.24462 numMergedOcc 0
45 mol 222 unq 2 iso 0 dist 9.2581 5.82526 7.16819 10.3894 3.98816 6.02034 numMergedOcc 0
46 mol 222 unq 3 iso 0 dist 9.62632 10.6944 9.08955 13.2354 3.98816 9.30639 numMergedOcc 0
47 mol 222 unq 4 iso 0 dist 9.62632 15.4372 8.88664 13.2354 3.98816 6.24462 numMergedOcc 0
48 mol 222 unq 5 iso 0 dist 9.62632 12.9388 7.16819 13.2354 3.98816 6.02034 numMergedOcc 0
49 mol 222 unq 6 iso 0 dist 7.862 7.75466 9.08955 10.2446 3.98816 9.30639 numMergedOcc 0
50 mol 222 unq 7 iso 0 dist 7.862 12.1951 8.88664 10.2446 3.98816 6.24462 numMergedOcc 0
51 mol 222 unq 8 iso 0 dist 7.862 11.6161 7.16819 10.2446 3.98816 6.02034 numMergedOcc 0
52 mol 232 unq 0 iso 0 dist 7.83711 4.9377 6.57921 8.25985 6.20756 9.78273 numMergedOcc 0
53 mol 253 unq 0 iso 0 dist 7.77998 5.78064 8.15091 11.2301 8.4971 9.82605 numMergedOcc 0
54 mol 253 unq 1 iso 0 dist 7.77998 5.78064 8.15091 9.7691 4.30218 9.73723 numMergedOcc 0
55 mol 274 unq 0 iso 0 dist 9.56685 5.29529 8.2997 11.8311 13.6012 8.09181 numMergedOcc 0
56 mol 282 unq 0 iso 0 dist 5.23193 6.46616 8.67489 12.0535 10.6248 8.46115 numMergedOcc 0
