0 mol 30 unq 0 iso 0 dist 9.84967 8.51496 10.8606 5.80534 4.20267 8.7139 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 7.30652 8.91502 4.94886 5.75135 10.4187 10.4849 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 5.81553 8.23777 6.74235 9.60648 7.8359 10.2723 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 9.73038 6.72323 12.9623 8.52036 6.208 12.7291 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 9.73865 8.30496 4.11501 9.48934 10.3186 8.79381 numMergedOcc 0
5 mol 141 unq 1 iso 0 dist 9.73865 6.78469 7.22151 9.48934 10.3186 5.16197 numMergedOcc 0
6 mol 141 unq 2 iso 0 dist 8.52591 8.01453 7.22151 6.41183 10.3186 5.16197 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 5.47265 9.41073 5.30729 8.76449 10.0388 10.1443 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 5.47265 9.41073 5.30729 8.36182 9.71714 11.2502 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 9.24754 9.62943 3.7064 9.37245 5.57089 9.10855 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 6.09291 7.91434 7.70397 7.50458 10.1931 14.0793 numMergedOcc 0
11 mol 169 unq 1 iso 0 dist 6.09291 7.91434 7.70397 5.79554 10.5136 13.629 numMergedOcc 0
12 mol 169 unq 2 iso 0 dist 6.09291 7.91434 7.70397 4.22003 10.212 11.1464 numMergedOcc 0
13 mol 169 unq 3 iso 0 dist 6.09291 7.79437 4.8154 7.50458 10.1931 14.1141 numMergedOcc 0
14 mol 169 unq 4 iso 0 dist 6.09291 7.79437 4.8154 5.79554 10.5136 13.1539 numMergedOcc 0
15 mol 169 unq 5 iso 0 dist 6.09291 7.79437 4.8154 4.22003 10.212 11.6489 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 9.85777 7.23557 10.0824 8.93485 10.5366 9.43113 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 8.47833 7.23557 11.1448 8.93485 6.82382 9.43113 numMergedOcc 0
18 mol 205 unq 2 iso 0 dist 5.05912 7.23557 5.00854 8.93485 9.27501 9.43113 numMergedOcc 0
19 mol 205 unq 3 iso 0 dist 5.47586 8.86587 11.1448 5.66636 6.82382 9.43113 numMergedOcc 0
20 mol 205 unq 4 iso 0 dist 6.60429 8.86587 5.00854 5.66636 9.27501 9.43113 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 5.70065 9.26092 5.4402 9.49242 5.81094 3.71145 numMergedOcc 0
22 mol 210 unq 1 iso 0 dist 5.70065 9.26092 5.4402 9.25184 6.59517 11.0674 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 4.87053 5.89818 4.07008 4.90656 5.63584 3.98604 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 4.87053 9.32543 10.3765 4.90656 5.63584 7.99695 numMergedOcc 0
25 mol 244 unq 0 iso 0 dist 9.06357 5.79898 14.3408 5.16859 8.6028 10.1665 numMergedOcc 0
26 mol 244 unq 1 iso 0 dist 9.06357 5.79898 14.3408 4.79207 12.6842 5.68434 numMergedOcc 0
27 mol 268 unq 0 iso 0 dist 6.62669 8.6745 9.35776 6.18877 5.92765 3.75857 numMergedOcc 0
28 mol 268 unq 1 iso 0 dist 9.73984 8.6745 6.95055 6.18877 7.13665 3.75857 numMergedOcc 0
