0 mol 32 unq 0 iso 0 dist 7.6082 11.1937 9.24687 3.82644 6.93709 7.47409 numMergedOcc 0
1 mol 32 unq 0 iso 1 dist 9.24687 11.1937 7.6082 7.47409 6.93709 3.82644 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 6.30541 6.18128 6.14602 3.44879 5.89913 3.76713 numMergedOcc 0
3 mol 44 unq 0 iso 1 dist 6.14602 6.18128 6.30541 3.76713 5.89913 3.44879 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 7.88704 8.83339 6.55352 3.71967 9.98298 8.67453 numMergedOcc 0
5 mol 83 unq 0 iso 1 dist 6.55352 8.83339 7.88704 8.67453 9.98298 3.71967 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 7.88704 8.83339 6.55352 6.15397 7.55036 4.7741 numMergedOcc 0
7 mol 83 unq 1 iso 1 dist 6.55352 8.83339 7.88704 4.7741 7.55036 6.15397 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 7.88704 8.83339 6.55352 13.8225 8.32248 5.61725 numMergedOcc 0
9 mol 83 unq 2 iso 1 dist 6.55352 8.83339 7.88704 5.61725 8.32248 13.8225 numMergedOcc 0
10 mol 83 unq 3 iso 0 dist 7.88704 15.8521 9.05437 3.71967 9.98298 16.9252 numMergedOcc 0
11 mol 83 unq 3 iso 1 dist 9.05437 15.8521 7.88704 16.9252 9.98298 3.71967 numMergedOcc 0
12 mol 83 unq 4 iso 0 dist 7.88704 15.8521 9.05437 6.15397 7.55036 12.9907 numMergedOcc 0
13 mol 83 unq 4 iso 1 dist 9.05437 15.8521 7.88704 12.9907 7.55036 6.15397 numMergedOcc 0
14 mol 83 unq 5 iso 0 dist 7.88704 15.8521 9.05437 13.8225 8.32248 3.91658 numMergedOcc 0
15 mol 83 unq 5 iso 1 dist 9.05437 15.8521 7.88704 3.91658 8.32248 13.8225 numMergedOcc 0
16 mol 83 unq 6 iso 0 dist 7.88704 14.6805 9.00625 3.71967 9.98298 16.7395 numMergedOcc 0
17 mol 83 unq 6 iso 1 dist 9.00625 14.6805 7.88704 16.7395 9.98298 3.71967 numMergedOcc 0
18 mol 83 unq 7 iso 0 dist 7.88704 14.6805 9.00625 6.15397 7.55036 14.1991 numMergedOcc 0
19 mol 83 unq 7 iso 1 dist 9.00625 14.6805 7.88704 14.1991 7.55036 6.15397 numMergedOcc 0
20 mol 83 unq 8 iso 0 dist 7.88704 14.6805 9.00625 13.8225 8.32248 8.33755 numMergedOcc 0
21 mol 83 unq 8 iso 1 dist 9.00625 14.6805 7.88704 8.33755 8.32248 13.8225 numMergedOcc 0
22 mol 83 unq 3 iso 0 dist 6.55352 8.80345 9.05437 8.67453 9.98298 16.9252 numMergedOcc 0
23 mol 83 unq 3 iso 1 dist 9.05437 8.80345 6.55352 16.9252 9.98298 8.67453 numMergedOcc 0
24 mol 83 unq 4 iso 0 dist 6.55352 8.80345 9.05437 4.7741 7.55036 12.9907 numMergedOcc 0
25 mol 83 unq 4 iso 1 dist 9.05437 8.80345 6.55352 12.9907 7.55036 4.7741 numMergedOcc 0
26 mol 83 unq 5 iso 0 dist 6.55352 8.80345 9.05437 5.61725 8.32248 3.91658 numMergedOcc 0
27 mol 83 unq 5 iso 1 dist 9.05437 8.80345 6.55352 3.91658 8.32248 5.61725 numMergedOcc 0
28 mol 83 unq 6 iso 0 dist 6.55352 10.2613 9.00625 8.67453 9.98298 16.7395 numMergedOcc 0
29 mol 83 unq 6 iso 1 dist 9.00625 10.2613 6.55352 16.7395 9.98298 8.67453 numMergedOcc 0
30 mol 83 unq 7 iso 0 dist 6.55352 10.2613 9.00625 4.7741 7.55036 14.1991 numMergedOcc 0
31 mol 83 unq 7 iso 1 dist 9.00625 10.2613 6.55352 14.1991 7.55036 4.7741 numMergedOcc 0
32 mol 83 unq 8 iso 0 dist 6.55352 10.2613 9.00625 5.61725 8.32248 8.33755 numMergedOcc 0
33 mol 83 unq 8 iso 1 dist 9.00625 10.2613 6.55352 8.33755 8.32248 5.61725 numMergedOcc 0
34 mol 83 unq 6 iso 0 dist 9.05437 6.27574 9.00625 16.9252 9.98298 16.7395 numMergedOcc 0
35 mol 83 unq 6 iso 1 dist 9.00625 6.27574 9.05437 16.7395 9.98298 16.9252 numMergedOcc 0
36 mol 83 unq 7 iso 0 dist 9.05437 6.27574 9.00625 12.9907 7.55036 14.1991 numMergedOcc 0
37 mol 83 unq 7 iso 1 dist 9.00625 6.27574 9.05437 14.1991 7.55036 12.9907 numMergedOcc 0
38 mol 83 unq 8 iso 0 dist 9.05437 6.27574 9.00625 3.91658 8.32248 8.33755 numMergedOcc 0
39 mol 83 unq 8 iso 1 dist 9.00625 6.27574 9.05437 8.33755 8.32248 3.91658 numMergedOcc 0
40 mol 98 unq 0 iso 0 dist 8.18252 6.55152 7.55531 3.8493 5.85622 3.78499 numMergedOcc 0
41 mol 98 unq 0 iso 1 dist 7.55531 6.55152 8.18252 3.78499 5.85622 3.8493 numMergedOcc 0
42 mol 154 unq 0 iso 0 dist 8.40395 14.3979 8.5081 5.37013 6.1247 11.9194 numMergedOcc 0
43 mol 154 unq 0 iso 1 dist 8.5081 14.3979 8.40395 11.9194 6.1247 5.37013 numMergedOcc 0
44 mol 175 unq 0 iso 0 dist 8.43256 3.90258 8.14202 10.3387 7.19751 7.28678 numMergedOcc 0
45 mol 175 unq 0 iso 1 dist 8.14202 3.90258 8.43256 7.28678 7.19751 10.3387 numMergedOcc 0
46 mol 220 unq 0 iso 0 dist 6.64341 3.70232 7.31315 8.85684 5.04072 7.67001 numMergedOcc 0
47 mol 220 unq 0 iso 1 dist 7.31315 3.70232 6.64341 7.67001 5.04072 8.85684 numMergedOcc 0
48 mol 220 unq 1 iso 0 dist 6.64341 3.70232 7.31315 6.43635 8.67956 9.04953 numMergedOcc 0
49 mol 220 unq 1 iso 1 dist 7.31315 3.70232 6.64341 9.04953 8.67956 6.43635 numMergedOcc 0
50 mol 257 unq 0 iso 0 dist 9.27027 10.2511 7.87058 11.7751 8.81508 8.91326 numMergedOcc 0
51 mol 257 unq 0 iso 1 dist 7.87058 10.2511 9.27027 8.91326 8.81508 11.7751 numMergedOcc 0
52 mol 260 unq 0 iso 0 dist 6.23198 5.43735 8.82216 3.43711 4.20369 7.63469 numMergedOcc 0
53 mol 260 unq 0 iso 1 dist 8.82216 5.43735 6.23198 7.63469 4.20369 3.43711 numMergedOcc 0
54 mol 260 unq 1 iso 0 dist 6.23198 5.43735 8.82216 5.84323 6.4165 8.31902 numMergedOcc 0
55 mol 260 unq 1 iso 1 dist 8.82216 5.43735 6.23198 8.31902 6.4165 5.84323 numMergedOcc 0
56 mol 265 unq 0 iso 0 dist 8.70514 5.78969 8.6462 8.80592 7.7096 11.7178 numMergedOcc 0
57 mol 265 unq 0 iso 1 dist 8.6462 5.78969 8.70514 11.7178 7.7096 8.80592 numMergedOcc 0
58 mol 283 unq 0 iso 0 dist 9.69083 10.8201 5.96202 13.6006 9.33601 6.35533 numMergedOcc 0
59 mol 283 unq 0 iso 1 dist 5.96202 10.8201 9.69083 6.35533 9.33601 13.6006 numMergedOcc 0
60 mol 283 unq 1 iso 0 dist 9.69083 10.4316 9.55068 13.6006 9.33601 13.9497 numMergedOcc 0
61 mol 283 unq 1 iso 1 dist 9.55068 10.4316 9.69083 13.9497 9.33601 13.6006 numMergedOcc 0
62 mol 283 unq 1 iso 0 dist 5.96202 7.7635 9.55068 6.35533 9.33601 13.9497 numMergedOcc 0
63 mol 283 unq 1 iso 1 dist 9.55068 7.7635 5.96202 13.9497 9.33601 6.35533 numMergedOcc 0
