0 mol 2 unq 0 iso 0 dist 5.69072 8.41577 9.33282 11.4347 9.39095 13.6562 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.64067 4.58234 6.34078 3.82278 8.69574 5.66067 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.49446 7.84363 9.3913 10.9175 8.7531 5.47272 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 6.49446 7.84363 9.3913 5.4275 7.25138 12.5032 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 5.77675 6.40777 6.23298 5.88789 8.4702 11.6017 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 5.8409 11.7705 6.02034 7.4829 8.48827 13.1307 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 5.8409 11.7705 6.02034 8.47947 7.14048 10.7383 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 8.13368 11.7705 6.77808 7.4829 8.03895 13.1307 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 8.13368 11.7705 6.77808 8.47947 5.68873 10.7383 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 8.8763 12.3783 6.71671 7.6171 5.53454 5.59536 numMergedOcc 0
10 mol 136 unq 0 iso 0 dist 9.16075 4.73324 9.87222 5.8947 9.73897 9.72078 numMergedOcc 0
11 mol 136 unq 1 iso 0 dist 9.16075 4.73324 9.87222 4.54436 8.59512 4.91049 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 8.94007 4.02727 6.00651 5.76262 8.76449 6.99467 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 8.94007 4.02727 6.00651 4.09924 8.36182 4.53687 numMergedOcc 0
14 mol 147 unq 2 iso 0 dist 8.94007 12.2765 8.52428 5.76262 8.76449 10.4515 numMergedOcc 0
15 mol 147 unq 3 iso 0 dist 8.94007 12.2765 8.52428 4.09924 8.36182 9.02691 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 9.67954 6.38774 5.83335 10.1955 7.16035 9.54202 numMergedOcc 0
17 mol 183 unq 1 iso 0 dist 9.67954 6.38774 5.83335 7.68974 6.2675 4.96829 numMergedOcc 0
18 mol 183 unq 2 iso 0 dist 9.67954 14.1502 9.92635 10.1955 7.16035 10.7786 numMergedOcc 0
19 mol 183 unq 3 iso 0 dist 9.67954 14.1502 9.92635 7.68974 6.2675 14.145 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 5.39622 6.28015 9.71223 6.14958 6.99587 5.56574 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 5.39622 6.28015 9.71223 5.87342 4.37577 7.76011 numMergedOcc 0
22 mol 186 unq 2 iso 0 dist 9.75853 8.15793 9.12583 4.32488 7.69952 4.41312 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 7.83389 9.77528 7.252 9.84703 5.05414 9.52346 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 7.83389 9.77528 7.252 10.1702 7.16964 6.78691 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 9.70166 8.40223 7.19213 8.02399 8.49554 3.72258 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 9.6748 11.9134 9.19579 6.56644 6.46793 12.5873 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 9.44043 11.7532 6.18894 6.55101 6.61322 10.613 numMergedOcc 0
28 mol 258 unq 1 iso 0 dist 5.3435 6.27159 6.18894 11.4781 6.61322 10.613 numMergedOcc 0
29 mol 258 unq 2 iso 0 dist 8.28364 5.46952 6.18894 13.2492 6.61322 10.613 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 9.59849 13.3788 9.86356 6.48913 9.64969 10.2032 numMergedOcc 0
31 mol 294 unq 1 iso 0 dist 9.59849 5.05234 6.42303 6.48913 9.64969 5.33113 numMergedOcc 0
