0 mol 11 unq 0 iso 0 dist 5.47299 12.6523 9.81983 13.1065 10.7048 6.35398 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.33736 4.92118 6.41008 10.9921 4.59417 8.80614 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.96898 8.90117 8.21895 13.6275 14.3608 7.56205 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 8.96898 8.90117 8.21895 8.54481 5.9487 4.74544 numMergedOcc 0
4 mol 101 unq 0 iso 0 dist 7.33426 4.93063 9.44645 8.65215 6.2696 6.98314 numMergedOcc 0
5 mol 101 unq 1 iso 0 dist 7.33426 4.93063 9.44645 9.65097 10.1773 7.61685 numMergedOcc 0
6 mol 101 unq 2 iso 0 dist 8.17175 14.9783 9.44645 14.1994 6.2696 6.98314 numMergedOcc 0
7 mol 101 unq 3 iso 0 dist 8.17175 14.9783 9.44645 17.4555 10.1773 7.61685 numMergedOcc 0
8 mol 135 unq 0 iso 0 dist 8.18584 9.25955 7.02963 14.7648 10.9403 5.62052 numMergedOcc 0
9 mol 135 unq 1 iso 0 dist 8.18584 9.25955 7.02963 15.0998 8.06169 7.85645 numMergedOcc 0
10 mol 135 unq 2 iso 0 dist 9.85803 12.4693 7.02963 17.8951 10.9403 5.62052 numMergedOcc 0
11 mol 135 unq 3 iso 0 dist 9.85803 12.4693 7.02963 16.9017 8.06169 7.85645 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 5.28634 4.1584 4.92382 10.0313 8.76709 8.10291 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 9.0735 4.74651 8.74878 14.1021 11.5545 9.91993 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 9.0735 4.74651 8.74878 12.9544 6.77599 9.99156 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 9.03593 4.75241 8.74018 14.0932 11.5728 9.96691 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 9.03593 4.75241 8.74018 12.8058 6.74495 9.8656 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 9.04564 4.19752 7.20362 8.9053 6.05019 8.647 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 8.7486 8.99704 9.98182 11.9019 6.45169 7.09394 numMergedOcc 0
19 mol 182 unq 1 iso 0 dist 9.06707 4.49268 9.98182 9.06702 6.45169 7.09394 numMergedOcc 0
20 mol 188 unq 0 iso 0 dist 7.50005 9.94001 8.34477 11.3059 8.02684 7.14503 numMergedOcc 0
21 mol 188 unq 1 iso 0 dist 7.50005 5.01686 8.4784 11.3059 8.02684 8.10214 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 9.21286 5.00854 7.75318 6.23932 7.35363 4.8668 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 8.22178 11.036 9.34602 11.4322 4.71943 7.37798 numMergedOcc 0
24 mol 244 unq 0 iso 0 dist 9.45199 4.89551 9.30179 9.21656 8.49798 5.50492 numMergedOcc 0
25 mol 244 unq 1 iso 0 dist 9.07512 4.89551 6.10489 9.21656 9.54706 5.50492 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 5.55176 9.62532 9.25759 14.8635 13.2948 8.91712 numMergedOcc 0
27 mol 287 unq 1 iso 0 dist 5.55176 9.62532 9.25759 7.7743 3.65199 9.65934 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 5.55176 9.62532 9.25759 14.8635 13.2948 8.91712 numMergedOcc 0
29 mol 288 unq 1 iso 0 dist 5.55176 9.62532 9.25759 7.7743 3.65199 9.65934 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 5.55176 9.62532 9.25759 14.8635 13.2948 8.91712 numMergedOcc 0
31 mol 289 unq 1 iso 0 dist 5.55176 9.62532 9.25759 7.7743 3.65199 9.65934 numMergedOcc 0
