0 mol 11 unq 0 iso 0 dist 7.05626 5.9304 9.78754 10.0141 6.51674 9.04534 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 8.62881 4.01477 5.59552 6.35305 6.882 6.04223 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 6.58492 10.7482 7.4518 10.0901 4.34681 5.10693 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 6.58492 10.7482 7.4518 10.6404 5.73248 6.58814 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 6.58492 10.7482 7.4518 16.0765 13.5809 6.13459 numMergedOcc 0
5 mol 93 unq 3 iso 0 dist 6.58492 10.7482 7.4518 17.3071 14.149 7.54391 numMergedOcc 0
6 mol 93 unq 4 iso 0 dist 7.63783 14.6717 7.4518 11.5774 4.34681 5.10693 numMergedOcc 0
7 mol 93 unq 5 iso 0 dist 7.63783 14.6717 7.4518 11.7117 5.73248 6.58814 numMergedOcc 0
8 mol 93 unq 6 iso 0 dist 7.63783 14.6717 7.4518 20.7008 13.5809 6.13459 numMergedOcc 0
9 mol 93 unq 7 iso 0 dist 7.63783 14.6717 7.4518 21.0462 14.149 7.54391 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 9.32181 4.28681 8.48774 8.71568 4.0719 6.3323 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 8.46446 8.86634 8.48774 5.81859 4.0719 6.3323 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 5.93497 4.32161 8.23777 11.7325 10.2723 9.60648 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.17878 18.003 9.66068 13.9084 6.29259 7.96893 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 8.19198 9.32632 8.73484 14.6835 8.87094 8.03124 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 6.6094 10.7499 9.41073 8.94352 10.1443 8.76449 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 6.6094 10.7499 9.41073 11.8316 11.2502 8.36182 numMergedOcc 0
17 mol 147 unq 2 iso 0 dist 9.70579 16.1629 9.41073 17.9759 10.1443 8.76449 numMergedOcc 0
18 mol 147 unq 3 iso 0 dist 9.70579 16.1629 9.41073 20.057 11.2502 8.36182 numMergedOcc 0
19 mol 147 unq 4 iso 0 dist 8.514 9.53448 9.41073 11.3126 10.1443 8.76449 numMergedOcc 0
20 mol 147 unq 5 iso 0 dist 8.514 9.53448 9.41073 13.7192 11.2502 8.36182 numMergedOcc 0
21 mol 247 unq 0 iso 0 dist 5.18532 7.28781 6.18065 9.60159 8.67313 4.78189 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 9.9268 17.1127 9.34735 15.0291 6.06804 8.71119 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 9.9268 17.1127 9.34735 17.4955 8.66074 6.21648 numMergedOcc 0
24 mol 253 unq 2 iso 0 dist 9.75905 10.7375 9.34735 14.1515 6.06804 8.71119 numMergedOcc 0
25 mol 253 unq 3 iso 0 dist 9.75905 10.7375 9.34735 12.6279 8.66074 6.21648 numMergedOcc 0
26 mol 253 unq 4 iso 0 dist 9.46975 6.34554 9.34735 8.58013 6.06804 8.71119 numMergedOcc 0
27 mol 253 unq 5 iso 0 dist 9.46975 6.34554 9.34735 11.6066 8.66074 6.21648 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 8.75324 9.65309 5.68717 11.4771 3.60349 7.88108 numMergedOcc 0
29 mol 260 unq 1 iso 0 dist 8.75324 9.65309 5.68717 11.7457 7.28821 9.46576 numMergedOcc 0
30 mol 268 unq 0 iso 0 dist 9.71278 10.3475 8.6745 11.3356 3.75857 6.18877 numMergedOcc 0
