0 mol 34 unq 0 iso 0 dist 6.72594 12.7928 9.09309 21.3434 18.1833 9.44189 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 7.94701 6.9472 8.02434 11.4652 5.55291 9.43171 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.51017 4.74235 7.80333 11.0361 4.12189 7.56581 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 9.51017 4.74235 7.80333 11.4465 5.62305 9.22021 numMergedOcc 0
4 mol 54 unq 2 iso 0 dist 8.47212 9.52571 7.80333 11.7969 4.12189 7.56581 numMergedOcc 0
5 mol 54 unq 3 iso 0 dist 8.47212 9.52571 7.80333 13.1437 5.62305 9.22021 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.69184 13.6339 9.01294 17.4799 12.8453 9.33919 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.69184 13.6339 9.01294 12.9661 9.59988 9.79143 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.69184 13.6339 9.01294 10.1147 7.80518 6.43377 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 8.87089 6.53925 5.69402 14.2965 14.0389 9.30559 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 8.87089 6.53925 5.69402 6.35462 7.86667 5.96359 numMergedOcc 0
11 mol 88 unq 2 iso 0 dist 8.87089 6.53925 5.69402 10.7802 9.81769 7.48974 numMergedOcc 0
12 mol 88 unq 3 iso 0 dist 8.87089 6.53925 5.69402 13.6768 9.07052 8.40428 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 7.82249 6.61652 9.03483 11.2771 4.67991 9.62543 numMergedOcc 0
14 mol 157 unq 0 iso 0 dist 8.78412 6.8427 9.06225 13.1393 12.6001 7.02823 numMergedOcc 0
15 mol 157 unq 1 iso 0 dist 8.78412 6.8427 9.06225 6.1835 6.91388 8.97404 numMergedOcc 0
16 mol 157 unq 2 iso 0 dist 8.78412 5.03038 4.60873 6.1835 6.91388 6.8364 numMergedOcc 0
17 mol 159 unq 0 iso 0 dist 8.20121 4.01489 8.00886 4.91784 5.10423 6.4829 numMergedOcc 0
18 mol 159 unq 1 iso 0 dist 7.52779 4.01489 7.9448 4.91784 7.18851 6.4829 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.90161 10.9812 9.64207 18.0224 16.9046 8.47008 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 7.11262 6.32047 9.64207 14.6412 16.9046 8.47008 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 6.60648 3.96762 9.64207 12.06 16.9046 8.47008 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 9.44038 7.18257 7.73842 8.87534 5.04299 6.52987 numMergedOcc 0
23 mol 273 unq 0 iso 0 dist 9.20043 4.39441 8.87049 9.42072 10.8895 6.70271 numMergedOcc 0
24 mol 273 unq 1 iso 0 dist 9.20043 4.39441 8.87049 10.0626 8.95251 6.08532 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 9.73763 12.0289 8.21389 14.3876 9.26653 6.55783 numMergedOcc 0
