0 mol 19 unq 0 iso 0 dist 7.50775 9.37649 8.43581 10.2259 3.73148 7.46208 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.42277 6.02451 8.75468 10.2839 10.4406 7.40415 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.46493 6.02451 7.62989 10.2839 12.0524 7.40415 numMergedOcc 0
3 mol 131 unq 0 iso 0 dist 8.41675 4.79878 4.48699 9.99644 4.94367 5.39061 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 4.93944 10.8036 8.88454 7.66512 3.80087 9.78667 numMergedOcc 0
5 mol 141 unq 1 iso 0 dist 4.93944 10.8036 8.88454 7.38183 3.80763 6.73983 numMergedOcc 0
6 mol 141 unq 2 iso 0 dist 4.93944 10.8036 8.88454 11.3573 9.98068 7.64956 numMergedOcc 0
7 mol 141 unq 3 iso 0 dist 4.93944 12.1363 9.48581 7.66512 3.80087 8.47026 numMergedOcc 0
8 mol 141 unq 4 iso 0 dist 4.93944 12.1363 9.48581 7.38183 3.80763 8.6387 numMergedOcc 0
9 mol 151 unq 0 iso 0 dist 8.16646 7.04946 9.06016 11.7392 11.8889 4.74531 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 7.19751 6.49088 7.6741 11.5476 10.297 8.05247 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 7.19751 6.49088 7.6741 15.2004 11.8094 9.71028 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.62945 5.37893 8.46395 8.09667 5.39534 5.45675 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 6.10013 8.4769 7.06636 6.28889 6.18551 9.41624 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 7.26295 11.802 5.13892 9.819 3.7326 6.37788 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 7.26295 12.0623 8.2232 9.819 3.7326 8.7028 numMergedOcc 0
16 mol 194 unq 2 iso 0 dist 7.31316 11.802 5.78717 9.819 7.29209 6.37788 numMergedOcc 0
17 mol 194 unq 3 iso 0 dist 8.9865 10.1478 5.78717 13.6378 7.29209 6.37788 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 4.29411 6.37333 5.19567 14.7915 13.6793 9.17946 numMergedOcc 0
19 mol 209 unq 0 iso 0 dist 8.3991 13.5381 9.90699 17.0004 11.5669 7.97418 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 8.44451 5.20757 8.83523 8.78652 5.88175 5.57779 numMergedOcc 0
21 mol 210 unq 1 iso 0 dist 8.44451 5.20757 8.83523 9.01437 9.89707 7.05649 numMergedOcc 0
22 mol 210 unq 2 iso 0 dist 8.44451 5.20757 8.83523 10.9072 13.4242 6.78579 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 7.38867 9.71846 8.38453 9.1191 3.99887 7.39391 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 5.16266 8.4307 8.17846 13.177 12.473 8.55729 numMergedOcc 0
