0 mol 54 unq 0 iso 0 dist 7.51978 5.59128 5.02241 7.34695 5.65405 8.41365 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 7.67586 10.9894 6.71911 17.1732 10.6897 7.37607 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 8.97292 9.55542 6.71911 11.585 10.6897 7.37607 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 7.95122 10.7301 8.33704 12.4415 6.02166 9.76145 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 9.74268 10.7301 7.92394 12.4415 10.1412 9.76145 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.28737 8.66353 8.97793 10.1382 6.71804 8.35595 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 8.28737 12.2209 8.19682 10.1382 6.71804 6.22513 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 9.24442 5.03719 7.72108 13.8913 12.0573 8.86001 numMergedOcc 0
8 mol 99 unq 1 iso 0 dist 9.24442 5.03719 7.72108 13.9586 10.7947 9.36749 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 8.50904 14.6248 9.31887 17.4353 10.5343 9.15536 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 9.25528 14.3955 6.94688 12.9113 5.114 9.30874 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 9.25528 15.6271 6.71012 12.9113 5.114 5.54873 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 7.92766 13.2566 5.90931 11.5075 5.43761 5.37579 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 7.36642 7.13867 9.19704 13.4086 10.6362 7.70781 numMergedOcc 0
14 mol 213 unq 0 iso 0 dist 6.82185 10.693 6.0965 12.717 5.97098 7.53384 numMergedOcc 0
15 mol 213 unq 1 iso 0 dist 6.77104 5.52154 4.26212 6.99636 7.02346 9.347 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.82174 12.5765 6.91569 11.1305 6.53984 5.72415 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 5.76077 10.6548 7.19465 8.0425 7.07333 6.52138 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 7.0247 3.494 7.19465 7.0141 7.07333 6.52138 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 7.18433 6.04378 4.86729 12.7492 5.87119 8.6173 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 7.1984 6.28374 9.03492 8.70757 5.57044 9.17225 numMergedOcc 0
