0 mol 7 unq 0 iso 0 dist 7.32392 10.5949 6.7985 10.1204 9.0379 9.68596 11.9168 8.43473 6.14469 5.03847 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.15434 10.7937 8.72114 12.8628 11.8172 6.02702 10.5066 6.34041 6.14469 6.55304 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.16444 5.86578 7.32257 11.4615 6.14147 6.55811 10.26 8.50424 7.35972 6.02809 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 9.16444 5.86578 7.32257 13.4922 10.5747 8.64915 10.26 8.50424 7.35972 4.98827 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.20058 13.4836 8.60554 15.5985 14.6259 8.4051 20.0654 14.012 6.72323 12.176 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.20058 13.4836 8.60554 17.2959 10.0952 7.29868 20.0654 14.012 6.72323 6.66749 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 9.22151 6.63966 8.50222 14.305 15.5644 8.87757 10.2461 9.34396 6.25843 7.33728 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 9.22151 6.63966 8.50222 14.305 15.5644 8.87757 13.6671 10.5328 8.88938 13.9331 numMergedOcc 0
8 mol 25 unq 2 iso 0 dist 9.22151 6.63966 8.50222 6.22122 4.33106 7.55264 10.2461 9.34396 6.25843 10.8498 numMergedOcc 0
9 mol 25 unq 3 iso 0 dist 9.22151 6.63966 8.50222 6.22122 4.33106 7.55264 13.6671 10.5328 8.88938 10.4337 numMergedOcc 0
10 mol 25 unq 4 iso 0 dist 6.22122 6.63966 7.55264 14.305 16.1048 8.87757 10.2461 10.8498 6.25843 7.33728 numMergedOcc 0
11 mol 25 unq 5 iso 0 dist 6.22122 6.63966 7.55264 14.305 16.1048 8.87757 13.6671 10.4337 8.88938 13.9331 numMergedOcc 0
12 mol 25 unq 6 iso 0 dist 6.22122 6.63966 7.55264 9.22151 4.33106 8.50222 10.2461 10.8498 6.25843 9.34396 numMergedOcc 0
13 mol 25 unq 7 iso 0 dist 6.22122 6.63966 7.55264 9.22151 4.33106 8.50222 13.6671 10.4337 8.88938 10.5328 numMergedOcc 0
14 mol 26 unq 0 iso 0 dist 7.46207 5.63833 6.46104 12.0856 7.96502 7.36856 9.17684 7.23703 6.93197 5.81765 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.85841 4.81103 5.78706 11.1652 7.51619 7.23884 6.04768 11.3905 7.14031 14.2646 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.85841 4.81103 5.78706 7.00285 10.6225 5.59328 6.04768 11.3905 7.14031 4.67519 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 5.85841 4.81103 5.78706 11.8527 12.7411 7.5242 6.04768 11.3905 7.14031 10.4027 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 6.78839 7.22196 5.78706 11.1321 7.51619 7.23884 9.40173 11.3905 7.14031 14.2646 numMergedOcc 0
19 mol 98 unq 4 iso 0 dist 6.78839 7.22196 5.78706 8.02354 10.6225 5.59328 9.40173 11.3905 7.14031 4.67519 numMergedOcc 0
20 mol 98 unq 5 iso 0 dist 6.78839 7.22196 5.78706 13.7128 12.7411 7.5242 9.40173 11.3905 7.14031 10.4027 numMergedOcc 0
21 mol 98 unq 6 iso 0 dist 7.00285 4.81103 5.59328 5.85841 10.6225 5.78706 6.04768 4.67519 7.14031 11.3905 numMergedOcc 0
22 mol 98 unq 7 iso 0 dist 7.00285 4.81103 5.59328 11.1652 11.4338 7.23884 6.04768 4.67519 7.14031 14.2646 numMergedOcc 0
23 mol 98 unq 8 iso 0 dist 7.00285 4.81103 5.59328 11.8527 7.72877 7.5242 6.04768 4.67519 7.14031 10.4027 numMergedOcc 0
24 mol 98 unq 9 iso 0 dist 8.02354 7.22196 5.59328 6.78839 10.6225 5.78706 9.40173 4.67519 7.14031 11.3905 numMergedOcc 0
25 mol 98 unq 10 iso 0 dist 8.02354 7.22196 5.59328 11.1321 11.4338 7.23884 9.40173 4.67519 7.14031 14.2646 numMergedOcc 0
26 mol 98 unq 11 iso 0 dist 8.02354 7.22196 5.59328 13.7128 7.72877 7.5242 9.40173 4.67519 7.14031 10.4027 numMergedOcc 0
27 mol 100 unq 0 iso 0 dist 8.22596 6.21679 7.80975 12.2079 10.8586 7.10378 12.0939 5.42531 9.5057 8.4128 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 8.22596 6.21679 7.80975 12.2079 10.8586 7.10378 9.66995 4.86592 5.75014 7.96533 numMergedOcc 0
29 mol 100 unq 2 iso 0 dist 5.70279 10.838 8.30845 11.3277 5.88134 7.01812 19.3411 15.3454 9.5057 10.6848 numMergedOcc 0
30 mol 125 unq 0 iso 0 dist 6.03557 6.46489 7.73435 10.231 5.20403 8.76789 11.3819 9.20086 6.11502 6.40824 numMergedOcc 0
31 mol 125 unq 1 iso 0 dist 6.03557 8.27647 9.3778 10.231 5.20403 9.08382 11.3819 9.20086 6.33431 6.40824 numMergedOcc 0
32 mol 125 unq 2 iso 0 dist 6.03557 8.27647 9.3778 13.084 11.8325 7.47069 11.3819 9.20086 6.33431 9.44075 numMergedOcc 0
33 mol 125 unq 3 iso 0 dist 7.76202 7.74181 7.47069 13.6357 9.34412 9.08382 13.4559 9.44075 6.33431 6.40824 numMergedOcc 0
34 mol 125 unq 4 iso 0 dist 7.76202 7.74181 7.47069 13.0388 11.8325 9.3778 13.4559 9.44075 6.33431 9.20086 numMergedOcc 0
35 mol 134 unq 0 iso 0 dist 5.57904 12.4426 7.80532 11.3191 5.79898 5.83771 9.95528 5.71679 6.40575 4.60632 numMergedOcc 0
36 mol 141 unq 0 iso 0 dist 9.47675 9.00056 9.97343 16.9141 11.4307 9.70413 13.5175 9.74444 9.10042 10.3716 numMergedOcc 0
37 mol 141 unq 1 iso 0 dist 9.47675 9.00056 9.97343 16.9141 11.4307 9.70413 13.8137 6.91919 9.75059 7.87881 numMergedOcc 0
38 mol 141 unq 2 iso 0 dist 9.47675 9.00056 9.97343 16.9141 11.4307 9.70413 12.3922 10.1432 6.83404 7.27731 numMergedOcc 0
39 mol 156 unq 0 iso 0 dist 9.19499 5.02458 9.44367 7.11647 5.56175 7.90267 10.6749 5.71511 8.37434 6.13574 numMergedOcc 0
40 mol 156 unq 1 iso 0 dist 7.11647 5.02458 7.90267 9.19499 5.56175 9.44367 10.6749 6.13574 8.37434 5.71511 numMergedOcc 0
41 mol 171 unq 0 iso 0 dist 7.13441 8.99392 8.24693 15.1055 11.6409 6.64834 12.2051 8.05069 7.22518 6.45673 numMergedOcc 0
42 mol 171 unq 1 iso 0 dist 7.13441 8.99392 8.24693 15.1055 11.6409 6.64834 13.7696 12.6853 5.25109 4.78075 numMergedOcc 0
43 mol 171 unq 2 iso 0 dist 7.13441 8.99392 8.24693 12.2067 7.31409 5.93786 12.2051 8.05069 7.22518 5.48551 numMergedOcc 0
44 mol 171 unq 3 iso 0 dist 7.13441 8.99392 8.24693 12.2067 7.31409 5.93786 13.7696 12.6853 5.25109 7.9651 numMergedOcc 0
45 mol 171 unq 4 iso 0 dist 7.13441 8.99392 8.24693 15.9953 14.1033 7.36698 12.2051 8.05069 7.22518 11.2785 numMergedOcc 0
46 mol 171 unq 5 iso 0 dist 7.13441 8.99392 8.24693 15.9953 14.1033 7.36698 13.7696 12.6853 5.25109 5.90026 numMergedOcc 0
47 mol 171 unq 6 iso 0 dist 7.13441 5.68701 6.71356 12.2067 7.31409 8.1344 12.2051 8.05069 7.58499 5.48551 numMergedOcc 0
48 mol 171 unq 7 iso 0 dist 7.13441 5.68701 6.71356 12.2067 7.31409 8.1344 13.7696 12.6853 8.21618 7.9651 numMergedOcc 0
49 mol 181 unq 0 iso 0 dist 8.90247 6.56225 6.2479 6.58792 6.01247 6.22122 11.3392 4.43096 7.32087 6.06566 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 8.90247 6.56225 6.2479 6.58792 6.01247 6.22122 13.656 8.04639 8.86197 13.0409 numMergedOcc 0
51 mol 181 unq 2 iso 0 dist 8.90247 6.56225 6.2479 10.3907 8.88798 7.99195 11.3392 4.43096 7.32087 12.2164 numMergedOcc 0
52 mol 181 unq 3 iso 0 dist 8.90247 6.56225 6.2479 10.3907 8.88798 7.99195 13.656 8.04639 8.86197 5.77299 numMergedOcc 0
53 mol 181 unq 4 iso 0 dist 6.58792 6.56225 6.22122 8.90247 6.01247 6.2479 11.3392 6.06566 7.32087 4.43096 numMergedOcc 0
54 mol 181 unq 5 iso 0 dist 6.58792 6.56225 6.22122 8.90247 6.01247 6.2479 13.656 13.0409 8.86197 8.04639 numMergedOcc 0
55 mol 181 unq 6 iso 0 dist 6.58792 6.56225 6.22122 10.3907 12.6324 7.99195 11.3392 6.06566 7.32087 12.2164 numMergedOcc 0
56 mol 181 unq 7 iso 0 dist 6.58792 6.56225 6.22122 10.3907 12.6324 7.99195 13.656 13.0409 8.86197 5.77299 numMergedOcc 0
57 mol 232 unq 0 iso 0 dist 8.89211 7.46856 8.50102 13.0468 6.56633 9.40808 6.71099 6.2188 9.78181 12.5452 numMergedOcc 0
58 mol 232 unq 1 iso 0 dist 8.89211 7.46856 8.50102 13.0468 6.56633 9.40808 12.8476 12.3508 9.8664 8.80479 numMergedOcc 0
59 mol 274 unq 0 iso 0 dist 5.82876 4.48276 7.46394 12.6563 10.501 9.45514 11.3455 11.1602 7.75216 6.52035 numMergedOcc 0
60 mol 274 unq 1 iso 0 dist 5.82876 4.48276 7.46394 12.336 14.3919 8.91672 11.3455 11.1602 7.75216 5.58338 numMergedOcc 0
61 mol 274 unq 2 iso 0 dist 5.82876 4.48276 7.46394 8.71129 6.15918 7.1729 11.3455 11.1602 7.75216 5.71192 numMergedOcc 0
62 mol 274 unq 3 iso 0 dist 8.71129 4.48276 7.1729 5.82876 6.15918 7.46394 11.3455 5.71192 7.75216 11.1602 numMergedOcc 0
63 mol 274 unq 4 iso 0 dist 8.71129 4.48276 7.1729 12.6563 6.828 9.45514 11.3455 5.71192 7.75216 6.52035 numMergedOcc 0
64 mol 274 unq 5 iso 0 dist 8.71129 4.48276 7.1729 12.336 10.0083 8.91672 11.3455 5.71192 7.75216 5.58338 numMergedOcc 0
