0 mol 27 unq 0 iso 0 dist 9.76721 8.05284 9.94082 7.96851 9.52155 14.0224 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.76721 8.05284 9.94082 8.62174 9.16319 14.8512 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.27456 16.1058 8.97148 15.5854 9.43843 7.59464 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 9.27456 16.1058 8.97148 7.41484 7.67463 14.0177 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 4.83495 4.22408 7.09296 7.62353 5.16779 6.76945 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 4.83495 5.11651 6.28054 7.62353 5.16779 6.72454 numMergedOcc 0
6 mol 91 unq 2 iso 0 dist 5.11803 4.22408 6.51618 7.62353 6.69121 6.76945 numMergedOcc 0
7 mol 91 unq 3 iso 0 dist 5.11803 5.11651 8.77748 7.62353 6.69121 6.72454 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.18881 7.03121 6.58667 7.06015 4.70342 4.48264 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 6.18881 7.03121 6.58667 6 8.23543 12.3921 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 9.35927 5.85377 6.58667 4.87504 4.70342 4.48264 numMergedOcc 0
11 mol 141 unq 3 iso 0 dist 9.35927 5.85377 6.58667 15.394 8.23543 12.3921 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 9.19804 6.93656 7.18359 6.10428 9.82522 9.76061 numMergedOcc 0
13 mol 154 unq 1 iso 0 dist 9.19804 6.93656 7.18359 3.93314 8.50773 8.83273 numMergedOcc 0
14 mol 154 unq 2 iso 0 dist 9.19804 10.0808 7.66303 6.10428 9.82522 13.9096 numMergedOcc 0
15 mol 154 unq 3 iso 0 dist 9.19804 10.0808 7.66303 3.93314 8.50773 10.1721 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 8.33743 5.78005 7.95899 9.08651 8.47836 3.72064 numMergedOcc 0
17 mol 254 unq 0 iso 0 dist 8.83523 5.11145 7.49277 7.28178 8.07881 7.53556 numMergedOcc 0
18 mol 254 unq 1 iso 0 dist 8.83523 5.11145 7.49277 5.81468 5.44351 4.84855 numMergedOcc 0
19 mol 254 unq 2 iso 0 dist 8.83523 5.11145 7.49277 8.51317 6.34051 5.67608 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 9.91856 6.72853 9.15639 3.67805 9.16774 4.55291 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 7.81415 6.35551 7.8959 15.5185 9.74797 14.3245 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 7.81415 6.35551 7.8959 6.35533 9.90494 10.0181 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 8.25719 9.57523 6.86467 12.3674 9.66129 3.65067 numMergedOcc 0
