0 mol 24 unq 0 iso 0 dist 8.80127 14.6259 6.48457 6.7846 7.18124 13.2846 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.48457 14.6259 8.80127 13.2846 7.18124 6.7846 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.80127 14.6259 6.48457 8.03955 6.47026 12.3897 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.48457 14.6259 8.80127 12.3897 6.47026 8.03955 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 8.77199 5.42586 8.81824 13.3089 9.43843 16.2205 numMergedOcc 0
5 mol 85 unq 0 iso 1 dist 8.81824 5.42586 8.77199 16.2205 9.43843 13.3089 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.77199 5.42586 8.81824 10.3737 7.67463 8.37717 numMergedOcc 0
7 mol 85 unq 1 iso 1 dist 8.81824 5.42586 8.77199 8.37717 7.67463 10.3737 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.78235 7.60026 8.92069 4.79453 9.33968 6.34112 numMergedOcc 0
9 mol 90 unq 0 iso 1 dist 8.92069 7.60026 9.78235 6.34112 9.33968 4.79453 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 6.60331 7.67212 9.22311 7.15495 9.60854 14.6858 numMergedOcc 0
11 mol 110 unq 0 iso 1 dist 9.22311 7.67212 6.60331 14.6858 9.60854 7.15495 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.86966 5.49936 5.7527 4.73288 7.78215 4.70284 numMergedOcc 0
13 mol 152 unq 0 iso 1 dist 5.7527 5.49936 8.86966 4.70284 7.78215 4.73288 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 8.4173 11.7381 6.55543 4.69387 6.53017 7.39705 numMergedOcc 0
15 mol 178 unq 0 iso 1 dist 6.55543 11.7381 8.4173 7.39705 6.53017 4.69387 numMergedOcc 0
16 mol 178 unq 1 iso 0 dist 8.4173 11.7381 6.55543 13.6551 8.83695 4.02132 numMergedOcc 0
17 mol 178 unq 1 iso 1 dist 6.55543 11.7381 8.4173 4.02132 8.83695 13.6551 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 9.62822 7.08941 7.03546 4.94346 7.51798 9.1131 numMergedOcc 0
19 mol 206 unq 0 iso 1 dist 7.03546 7.08941 9.62822 9.1131 7.51798 4.94346 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 9.73419 5.63422 6.11803 4.46135 9.24832 3.56132 numMergedOcc 0
21 mol 206 unq 1 iso 1 dist 6.11803 5.63422 9.73419 3.56132 9.24832 4.46135 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 9.0813 10.5281 5.94606 13.9138 8.46558 11.0218 numMergedOcc 0
23 mol 230 unq 0 iso 1 dist 5.94606 10.5281 9.0813 11.0218 8.46558 13.9138 numMergedOcc 0
24 mol 230 unq 1 iso 0 dist 9.0813 10.5281 5.94606 14.6682 9.96417 5.80474 numMergedOcc 0
25 mol 230 unq 1 iso 1 dist 5.94606 10.5281 9.0813 5.80474 9.96417 14.6682 numMergedOcc 0
26 mol 230 unq 2 iso 0 dist 9.0813 10.5281 5.94606 15.1309 9.28671 4.65404 numMergedOcc 0
27 mol 230 unq 2 iso 1 dist 5.94606 10.5281 9.0813 4.65404 9.28671 15.1309 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 7.98028 5.55477 5.8473 5.6683 8.27566 5.82277 numMergedOcc 0
29 mol 258 unq 0 iso 1 dist 5.8473 5.55477 7.98028 5.82277 8.27566 5.6683 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 8.89057 8.42646 7.97266 6.3912 7.8605 12.3871 numMergedOcc 0
31 mol 285 unq 0 iso 1 dist 7.97266 8.42646 8.89057 12.3871 7.8605 6.3912 numMergedOcc 0
