0 mol 7 unq 0 iso 0 dist 6.94615 4.68431 8.50044 7.92316 9.62459 9.28571 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.94615 4.68431 8.50044 10.984 9.89662 8.05125 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.17764 4.68431 7.11539 7.92316 15.3822 9.28571 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.17764 4.68431 7.11539 10.984 10.7937 8.05125 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 7.32157 4.95744 6.42707 10.0675 4.79923 6.9055 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 9.63085 9.5684 9.75061 9.55385 10.6596 4.56886 numMergedOcc 0
6 mol 173 unq 0 iso 0 dist 8.76228 12.523 8.14167 17.1443 9.51289 8.32987 numMergedOcc 0
7 mol 173 unq 1 iso 0 dist 8.76228 12.523 8.14167 10.4111 9.16343 8.44321 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 5.31279 6.95271 8.91143 11.9135 12.2214 9.60838 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 8.76308 15.047 6.58212 12.2363 7.79382 8.55294 numMergedOcc 0
10 mol 192 unq 0 iso 0 dist 9.36089 5.09521 8.29166 8.8894 4.71967 5.83093 numMergedOcc 0
11 mol 192 unq 1 iso 0 dist 8.25221 5.09521 8.14859 8.8894 10.8213 5.83093 numMergedOcc 0
12 mol 192 unq 2 iso 0 dist 6.64416 5.09521 5.62421 8.8894 6.75301 5.83093 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 6.67938 11.7954 7.59757 13.3583 10.389 9.23669 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 7.71605 8.39762 6.45143 4.67943 4.97624 8.24741 numMergedOcc 0
15 mol 226 unq 1 iso 0 dist 7.71605 8.39762 6.45143 10.7118 5.55393 5.07958 numMergedOcc 0
16 mol 226 unq 2 iso 0 dist 7.71605 8.39762 6.45143 11.3715 9.35407 6.19519 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 6.97527 15.2293 9.49129 11.3851 5.11183 5.77828 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 9.94034 6.35573 5.95622 12.9877 11.9194 7.80073 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 6.59092 12.2394 8.83491 13.3775 7.46111 7.84151 numMergedOcc 0
20 mol 273 unq 1 iso 0 dist 6.59092 12.2394 8.83491 11.3207 5.60451 7.346 numMergedOcc 0
