0 mol 20 unq 0 iso 0 dist 7.16149 15.8767 9.0017 13.4107 9.47299 8.72342 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.80127 6.7846 7.18124 8.4051 3.4435 7.85986 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.80127 8.03955 6.47026 9.83002 9.4199 7.03544 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.80127 8.03955 6.47026 8.4051 3.4435 4.30252 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.48457 13.2846 7.18124 8.60554 3.4435 7.85986 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.48457 12.3897 6.47026 13.4393 9.4199 7.03544 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.48457 12.3897 6.47026 8.60554 3.4435 4.30252 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 8.77199 13.3089 9.43843 9.82915 4.58085 6.46549 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 8.81824 16.2205 9.43843 12.0078 4.58085 6.46549 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 9.78235 4.79453 9.33968 11.4614 6.56032 8.61893 numMergedOcc 0
10 mol 90 unq 1 iso 0 dist 8.92069 6.34112 9.33968 11.1527 6.56032 8.61893 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 5.82487 11.6076 8.46167 14.1308 8.69658 7.40338 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 5.82487 11.6076 8.46167 15.777 11.1416 6.23759 numMergedOcc 0
13 mol 157 unq 0 iso 0 dist 7.52643 4.54378 5.32542 13.6578 8.07977 9.36663 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 6.64326 6.05019 9.56702 8.647 6.03833 7.20362 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 9.48488 8.36443 9.67872 12.1627 8.06906 5.67088 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 9.48488 8.36443 9.67872 16.3576 11.3156 9.61332 numMergedOcc 0
17 mol 182 unq 0 iso 0 dist 9.07173 6.1548 8.58391 7.09394 3.6277 9.02127 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 6.11835 12.4987 8.94198 6.86319 3.68546 6.14222 numMergedOcc 0
19 mol 196 unq 1 iso 0 dist 9.93668 12.4987 9.49159 6.86319 6.56216 6.14222 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 7.23959 6.49049 8.42716 6.03688 9.6084 5.59832 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 7.23959 6.49049 8.42716 9.53629 3.5693 9.17562 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 9.73419 4.46135 9.24832 6.16414 7.87274 7.9416 numMergedOcc 0
23 mol 206 unq 1 iso 0 dist 6.11803 3.56132 9.24832 7.75885 7.87274 7.9416 numMergedOcc 0
24 mol 230 unq 0 iso 0 dist 9.0813 15.1309 9.28671 20.5492 13.7681 8.91416 numMergedOcc 0
25 mol 230 unq 1 iso 0 dist 5.94606 4.65404 9.28671 11.9641 13.7681 8.91416 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 7.98028 5.6683 8.27566 14.1388 11.0519 9.36974 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 5.8473 5.82277 8.27566 10.3917 11.0519 9.36974 numMergedOcc 0
28 mol 278 unq 0 iso 0 dist 5.77089 5.33325 9.68335 6.62841 7.27472 7.1656 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 9.29241 4.21609 8.70479 6.89451 5.41757 7.99204 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 9.29241 4.21609 8.70479 6.89451 5.41757 7.99204 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 9.29241 4.21609 8.70479 6.89451 5.41757 7.99204 numMergedOcc 0
