0 mol 16 unq 0 iso 0 dist 8.59049 5.11248 6.72833 6.21616 6.86055 5.94982 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.20058 13.4836 8.60554 19.4811 14.8647 6.61696 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.20058 13.4836 8.60554 11.6434 5.11636 5.80953 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.20058 11.9824 8.44664 8.45916 4.79736 9.98592 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.20058 9.04355 9.44691 13.2071 14.4081 9.586 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 9.22151 6.63966 8.50222 14.5916 13.2447 9.16515 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 9.22151 6.63966 8.50222 15.9245 11.8139 9.82987 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 9.22151 6.63966 8.50222 13.2138 6.28979 9.40732 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 9.22151 6.63966 8.50222 9.95169 5.18617 6.53269 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 6.22122 6.63966 7.55264 14.5916 14.9982 9.16515 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 6.22122 6.63966 7.55264 15.9245 14.1251 9.82987 numMergedOcc 0
11 mol 25 unq 6 iso 0 dist 6.22122 6.63966 7.55264 13.2138 8.41421 9.40732 numMergedOcc 0
12 mol 25 unq 7 iso 0 dist 6.22122 6.63966 7.55264 9.95169 5.68041 6.53269 numMergedOcc 0
13 mol 26 unq 0 iso 0 dist 7.46207 5.63833 6.46104 9.56639 5.56139 6.07276 numMergedOcc 0
14 mol 41 unq 0 iso 0 dist 8.52313 8.06801 8.51663 14.2 13.4019 6.21128 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 6.68311 15.1138 9.27838 12.0518 5.69391 7.58875 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 6.68311 15.1138 9.27838 9.87311 5.57624 9.52749 numMergedOcc 0
17 mol 72 unq 2 iso 0 dist 6.68311 15.1138 9.27838 9.26417 4.03844 6.91169 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 8.05602 11.0132 6.65501 15.2414 10.4782 8.46823 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 8.05602 11.0132 6.65501 9.55337 3.9764 4.62494 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 5.70279 10.838 8.30845 10.7785 6.23008 6.59691 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 8.84523 10.8869 7.80523 13.0202 5.00433 7.56755 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 9.08014 10.3234 8.8822 18.97 13.9729 9.30645 numMergedOcc 0
23 mol 129 unq 0 iso 0 dist 6.23966 5.85167 7.58957 8.46972 6.28232 6.34626 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 9.47675 9.00056 9.97343 13.7901 13.4066 6.65731 numMergedOcc 0
25 mol 155 unq 0 iso 0 dist 5.68636 5.52764 7.92304 8.14405 4.91785 9.16358 numMergedOcc 0
26 mol 159 unq 0 iso 0 dist 7.47975 9.90351 8.4858 11.27 4.48323 9.35202 numMergedOcc 0
27 mol 171 unq 0 iso 0 dist 7.13441 8.99392 8.24693 16.3943 14.4375 9.34834 numMergedOcc 0
28 mol 171 unq 1 iso 0 dist 7.13441 8.99392 8.24693 13.8812 13.6262 5.74846 numMergedOcc 0
29 mol 195 unq 0 iso 0 dist 8.3705 11.3703 9.26504 12.5713 6.04871 6.22742 numMergedOcc 0
30 mol 212 unq 0 iso 0 dist 9.47932 10.6561 8.69988 13.1493 3.9436 9.10288 numMergedOcc 0
31 mol 212 unq 1 iso 0 dist 9.47932 15.0782 8.55903 13.1493 3.9436 6.19798 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 5.47561 10.3328 7.67576 8.51427 6.84862 8.43195 numMergedOcc 0
33 mol 222 unq 1 iso 0 dist 5.47561 10.3328 7.67576 11.6182 9.53117 8.23406 numMergedOcc 0
34 mol 229 unq 0 iso 0 dist 8.8557 10.4939 8.66332 10.3383 5.70473 9.37336 numMergedOcc 0
35 mol 232 unq 0 iso 0 dist 8.89211 7.46856 8.50102 15.7335 9.74344 9.9183 numMergedOcc 0
36 mol 232 unq 1 iso 0 dist 9.95045 4.95971 9.05071 7.53576 5.42461 6.59036 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 5.82876 4.48276 7.46394 5.64169 5.22914 7.77765 numMergedOcc 0
38 mol 274 unq 1 iso 0 dist 5.82876 4.48276 7.46394 13.5288 14.7507 9.65868 numMergedOcc 0
39 mol 274 unq 2 iso 0 dist 8.71129 4.48276 7.1729 5.64169 10.2884 7.77765 numMergedOcc 0
40 mol 274 unq 3 iso 0 dist 8.71129 4.48276 7.1729 13.5288 13.0867 9.65868 numMergedOcc 0
41 mol 279 unq 0 iso 0 dist 5.70546 4.99186 7.23721 11.7311 10.7629 9.42255 numMergedOcc 0
