0 mol 12 unq 0 iso 0 dist 8.34132 9.32718 5.21065 6.13614 7.96154 11.8259 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 9.02961 8.19603 5.06225 5.30941 7.81641 9.88198 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.57204 7.84444 9.29755 7.25365 7.72069 11.4037 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 9.95424 8.48223 5.63957 5.10388 7.75237 8.05492 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 5.88647 7.95972 10.2335 5.50284 8.71615 11.486 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.86576 6.88603 13.2633 13.8239 8.6308 20.0256 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 8.32077 6.64613 10.6036 8.48635 9.50465 14.7144 numMergedOcc 0
7 mol 157 unq 0 iso 0 dist 8.97264 9.86043 4.86659 4.76441 8.21352 10.9823 numMergedOcc 0
8 mol 228 unq 0 iso 0 dist 9.74392 9.79291 13.9262 9.36982 9.85855 18.0331 numMergedOcc 0
9 mol 238 unq 0 iso 0 dist 8.47921 6.89216 5.1967 6.12374 6.32593 5.72415 numMergedOcc 0
10 mol 259 unq 0 iso 0 dist 9.24368 6.18798 5.36282 5.5938 8.38727 8.84139 numMergedOcc 0
11 mol 259 unq 1 iso 0 dist 9.24368 6.18798 5.36282 9.0995 6.6731 9.26725 numMergedOcc 0
12 mol 259 unq 2 iso 0 dist 9.24368 6.18798 5.36282 15.5146 9.83696 12.1817 numMergedOcc 0
13 mol 274 unq 0 iso 0 dist 8.88613 8.8896 13.6692 5.67354 5.38704 12.9104 numMergedOcc 0
14 mol 274 unq 1 iso 0 dist 8.88613 8.8896 13.6692 7.47139 8.26695 15.6001 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 7.64708 9.28545 10.0256 5.57184 8.83777 8.62043 numMergedOcc 0
16 mol 277 unq 1 iso 0 dist 5.73065 9.28545 8.46112 5.57184 9.42812 8.62043 numMergedOcc 0
