0 mol 24 unq 0 iso 0 dist 9.67926 8.13365 10.0637 7.63824 10.9551 9.76111 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 7.78459 9.17862 8.88286 7.97266 6.56825 4.23405 numMergedOcc 0
2 mol 110 unq 0 iso 0 dist 7.67702 7.2461 12.3557 7.59747 7.32685 6.79448 numMergedOcc 0
3 mol 110 unq 1 iso 0 dist 7.67702 9.26333 11.0242 7.59747 7.32685 3.80114 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 7.95205 7.42431 4.48869 6.33923 4.58626 6.34994 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 7.95205 7.42431 4.48869 9.9801 3.78254 8.26306 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 5.38954 9.60425 6.29427 5.94465 5.11935 11.1642 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 7.7267 7.00798 6.37892 8.42277 8.17376 12.7464 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 7.7267 7.00798 6.37892 6.26653 6.47582 10.1964 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.22039 8.67129 7.20524 7.53591 4.45608 6.68984 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 9.83634 9.03632 18.1743 6.51748 15.7254 6.60451 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 8.71294 5.41229 5.13245 6.3472 7.67657 4.69387 numMergedOcc 0
12 mol 178 unq 1 iso 0 dist 8.71294 8.57378 9.05082 6.3472 7.67657 3.70233 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 9.20346 6.62848 10.9909 8.60009 6.6815 8.09496 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 7.9678 6.04106 6.4623 6.2669 10.4274 4.30308 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 8.14413 7.86668 5.82028 8.20259 5.30972 9.97638 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 9.98753 5.71825 7.17028 6.23243 10.6705 3.57917 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 6.86905 6.51823 7.22173 9.31268 4.51854 5.7648 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 9.67923 7.58175 4.98533 8.88629 7.51114 8.75116 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 8.42116 8.95261 5.86413 9.79593 7.56859 10.9989 numMergedOcc 0
20 mol 257 unq 1 iso 0 dist 9.11074 8.95261 13.8679 9.79593 4.98901 10.9989 numMergedOcc 0
