0 mol 7 unq 0 iso 0 dist 7.32392 10.5949 6.7985 10.1204 9.0379 9.68596 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.15434 10.7937 8.72114 12.8628 11.8172 6.02702 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 4.92734 7.97177 8.53529 13.8619 12.4076 7.03958 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 4.92734 7.97177 8.53529 6.57999 8.4069 7.18019 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 4.92734 7.97177 8.53529 12.3088 12.9016 8.44009 numMergedOcc 0
5 mol 8 unq 3 iso 0 dist 6.4754 5.3298 7.18019 10.2567 10.9495 7.03958 numMergedOcc 0
6 mol 8 unq 4 iso 0 dist 6.4754 5.3298 7.18019 11.9453 8.4069 8.53529 numMergedOcc 0
7 mol 8 unq 5 iso 0 dist 6.4754 5.3298 7.18019 7.3795 6.23795 8.44009 numMergedOcc 0
8 mol 8 unq 6 iso 0 dist 6.57999 7.97177 7.18019 13.8619 10.9495 7.03958 numMergedOcc 0
9 mol 8 unq 7 iso 0 dist 6.57999 7.97177 7.18019 4.92734 8.4069 8.53529 numMergedOcc 0
10 mol 8 unq 8 iso 0 dist 6.57999 7.97177 7.18019 12.3088 6.23795 8.44009 numMergedOcc 0
11 mol 8 unq 9 iso 0 dist 7.3795 5.3298 8.44009 10.2567 8.09332 7.03958 numMergedOcc 0
12 mol 8 unq 10 iso 0 dist 7.3795 5.3298 8.44009 11.9453 12.9016 8.53529 numMergedOcc 0
13 mol 8 unq 11 iso 0 dist 7.3795 5.3298 8.44009 6.4754 6.23795 7.18019 numMergedOcc 0
14 mol 9 unq 0 iso 0 dist 9.16444 5.86578 7.32257 11.4615 6.14147 6.55811 numMergedOcc 0
15 mol 9 unq 1 iso 0 dist 9.16444 5.86578 7.32257 13.4922 10.5747 8.64915 numMergedOcc 0
16 mol 16 unq 0 iso 0 dist 8.4361 5.06195 6.62144 9.59256 10.6922 7.47858 numMergedOcc 0
17 mol 16 unq 1 iso 0 dist 8.59049 5.11248 6.72833 8.82587 10.4852 6.93532 numMergedOcc 0
18 mol 24 unq 0 iso 0 dist 8.20058 13.4836 8.60554 15.5985 14.6259 8.4051 numMergedOcc 0
19 mol 24 unq 1 iso 0 dist 8.20058 13.4836 8.60554 17.2959 10.0952 7.29868 numMergedOcc 0
20 mol 24 unq 2 iso 0 dist 8.20058 9.04355 9.44691 15.5985 14.6259 8.75662 numMergedOcc 0
21 mol 25 unq 0 iso 0 dist 6.23095 12.1434 8.6653 11.9439 10.6808 7.92503 numMergedOcc 0
22 mol 25 unq 1 iso 0 dist 9.22151 6.63966 8.50222 14.305 15.5644 8.87757 numMergedOcc 0
23 mol 25 unq 2 iso 0 dist 9.22151 6.63966 8.50222 6.22122 4.33106 7.55264 numMergedOcc 0
24 mol 25 unq 3 iso 0 dist 6.22122 6.63966 7.55264 14.305 16.1048 8.87757 numMergedOcc 0
25 mol 25 unq 4 iso 0 dist 6.22122 6.63966 7.55264 9.22151 4.33106 8.50222 numMergedOcc 0
26 mol 26 unq 0 iso 0 dist 7.46207 5.63833 6.46104 12.0856 7.96502 7.36856 numMergedOcc 0
27 mol 30 unq 0 iso 0 dist 9.28932 5.2347 7.12365 6.83481 5.34368 8.1284 numMergedOcc 0
28 mol 30 unq 1 iso 0 dist 7.53042 5.9029 7.12365 11.534 5.34368 8.1284 numMergedOcc 0
29 mol 30 unq 2 iso 0 dist 6.83481 5.2347 8.1284 9.28932 5.34368 7.12365 numMergedOcc 0
30 mol 98 unq 0 iso 0 dist 5.85841 4.81103 5.78706 11.1652 7.51619 7.23884 numMergedOcc 0
31 mol 98 unq 1 iso 0 dist 5.85841 4.81103 5.78706 7.00285 10.6225 5.59328 numMergedOcc 0
32 mol 98 unq 2 iso 0 dist 5.85841 4.81103 5.78706 11.8527 12.7411 7.5242 numMergedOcc 0
33 mol 98 unq 3 iso 0 dist 6.78839 7.22196 5.78706 11.1321 7.51619 7.23884 numMergedOcc 0
34 mol 98 unq 4 iso 0 dist 6.78839 7.22196 5.78706 8.02354 10.6225 5.59328 numMergedOcc 0
35 mol 98 unq 5 iso 0 dist 6.78839 7.22196 5.78706 13.7128 12.7411 7.5242 numMergedOcc 0
36 mol 98 unq 6 iso 0 dist 7.00285 4.81103 5.59328 5.85841 10.6225 5.78706 numMergedOcc 0
37 mol 98 unq 7 iso 0 dist 7.00285 4.81103 5.59328 11.1652 11.4338 7.23884 numMergedOcc 0
38 mol 98 unq 8 iso 0 dist 7.00285 4.81103 5.59328 11.8527 7.72877 7.5242 numMergedOcc 0
39 mol 98 unq 9 iso 0 dist 8.02354 7.22196 5.59328 6.78839 10.6225 5.78706 numMergedOcc 0
40 mol 98 unq 10 iso 0 dist 8.02354 7.22196 5.59328 11.1321 11.4338 7.23884 numMergedOcc 0
41 mol 98 unq 11 iso 0 dist 8.02354 7.22196 5.59328 13.7128 7.72877 7.5242 numMergedOcc 0
42 mol 100 unq 0 iso 0 dist 8.22596 6.21679 7.80975 12.2079 10.8586 7.10378 numMergedOcc 0
43 mol 100 unq 1 iso 0 dist 5.70279 10.838 8.30845 11.3277 5.88134 7.01812 numMergedOcc 0
44 mol 119 unq 0 iso 0 dist 8.62648 9.25614 6.52773 11.5266 4.85907 9.11344 numMergedOcc 0
45 mol 125 unq 0 iso 0 dist 6.03557 6.46489 7.73435 10.231 5.20403 8.76789 numMergedOcc 0
46 mol 125 unq 1 iso 0 dist 6.03557 8.27647 9.3778 10.231 5.20403 9.08382 numMergedOcc 0
47 mol 125 unq 2 iso 0 dist 6.03557 8.27647 9.3778 13.084 11.8325 7.47069 numMergedOcc 0
48 mol 125 unq 3 iso 0 dist 7.76202 7.74181 7.47069 13.6357 9.34412 9.08382 numMergedOcc 0
49 mol 125 unq 4 iso 0 dist 7.76202 7.74181 7.47069 13.0388 11.8325 9.3778 numMergedOcc 0
50 mol 133 unq 0 iso 0 dist 9.79004 13.2968 7.71248 14.9707 6.761 9.97654 numMergedOcc 0
51 mol 133 unq 1 iso 0 dist 9.79004 13.2968 7.71248 16.8376 7.6656 6.66772 numMergedOcc 0
52 mol 134 unq 0 iso 0 dist 5.57904 12.4426 7.80532 11.3191 5.79898 5.83771 numMergedOcc 0
53 mol 141 unq 0 iso 0 dist 9.47675 9.00056 9.97343 16.9141 11.4307 9.70413 numMergedOcc 0
54 mol 156 unq 0 iso 0 dist 9.19499 5.02458 9.44367 7.11647 5.56175 7.90267 numMergedOcc 0
55 mol 156 unq 1 iso 0 dist 9.19499 15.8724 9.47433 14.1844 5.76755 6.30021 numMergedOcc 0
56 mol 156 unq 2 iso 0 dist 7.11647 5.02458 7.90267 9.19499 5.56175 9.44367 numMergedOcc 0
57 mol 171 unq 0 iso 0 dist 7.13441 8.99392 8.24693 15.1055 11.6409 6.64834 numMergedOcc 0
58 mol 171 unq 1 iso 0 dist 7.13441 8.99392 8.24693 12.2067 7.31409 5.93786 numMergedOcc 0
59 mol 171 unq 2 iso 0 dist 7.13441 8.99392 8.24693 15.9953 14.1033 7.36698 numMergedOcc 0
60 mol 171 unq 3 iso 0 dist 7.13441 5.68701 6.71356 12.2067 7.31409 8.1344 numMergedOcc 0
61 mol 181 unq 0 iso 0 dist 8.90247 6.56225 6.2479 6.58792 6.01247 6.22122 numMergedOcc 0
62 mol 181 unq 1 iso 0 dist 8.90247 6.56225 6.2479 10.3907 8.88798 7.99195 numMergedOcc 0
63 mol 181 unq 2 iso 0 dist 6.58792 6.56225 6.22122 8.90247 6.01247 6.2479 numMergedOcc 0
64 mol 181 unq 3 iso 0 dist 6.58792 6.56225 6.22122 10.3907 12.6324 7.99195 numMergedOcc 0
65 mol 195 unq 0 iso 0 dist 8.3705 11.3703 9.26504 15.8199 10.7531 7.36683 numMergedOcc 0
66 mol 213 unq 0 iso 0 dist 9.75141 10.9044 8.14332 13.93 5.45334 7.73322 numMergedOcc 0
67 mol 231 unq 0 iso 0 dist 8.91036 9.83598 6.98875 12.2364 4.06055 6.54852 numMergedOcc 0
68 mol 232 unq 0 iso 0 dist 8.89211 7.46856 8.50102 13.0468 6.56633 9.40808 numMergedOcc 0
69 mol 238 unq 0 iso 0 dist 5.67917 5.11183 7.57812 12.6253 10.0191 9.24557 numMergedOcc 0
70 mol 274 unq 0 iso 0 dist 5.82876 4.48276 7.46394 12.6563 10.501 9.45514 numMergedOcc 0
71 mol 274 unq 1 iso 0 dist 5.82876 4.48276 7.46394 12.336 14.3919 8.91672 numMergedOcc 0
72 mol 274 unq 2 iso 0 dist 5.82876 4.48276 7.46394 8.71129 6.15918 7.1729 numMergedOcc 0
73 mol 274 unq 3 iso 0 dist 8.71129 4.48276 7.1729 5.82876 6.15918 7.46394 numMergedOcc 0
74 mol 274 unq 4 iso 0 dist 8.71129 4.48276 7.1729 12.6563 6.828 9.45514 numMergedOcc 0
75 mol 274 unq 5 iso 0 dist 8.71129 4.48276 7.1729 12.336 10.0083 8.91672 numMergedOcc 0
76 mol 278 unq 0 iso 0 dist 8.83775 4.36832 8.00673 7.58272 8.29447 6.62841 numMergedOcc 0
77 mol 278 unq 1 iso 0 dist 7.58272 4.36832 6.62841 8.83775 8.29447 8.00673 numMergedOcc 0
