0 mol 9 unq 0 iso 0 dist 9.9919 7.74667 7.38017 15.4961 10.6533 8.57077 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.52295 11.8286 9.07906 13.3732 8.42544 5.73819 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.52295 11.8286 9.07906 8.38387 6.09486 6.20293 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 9.52295 11.8286 9.07906 12.9363 4.40385 8.93915 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.00709 10.3082 8.41018 17.9047 15.2053 9.5589 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.70787 10.9651 5.62694 15.6118 10.169 8.70481 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.27456 4.49 8.77199 9.89682 5.46695 7.97049 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.27456 4.49 8.77199 11.3695 11.3211 7.47541 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 9.27456 5.8457 8.81824 11.847 6.62562 7.95579 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 9.27456 5.8457 8.81824 9.89682 5.46695 6.19965 numMergedOcc 0
10 mol 85 unq 4 iso 0 dist 9.27456 5.8457 8.81824 11.3695 11.3211 7.66905 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 6.64933 4.0486 9.54952 7.74197 11.9839 9.36773 numMergedOcc 0
12 mol 88 unq 1 iso 0 dist 6.64933 4.0486 9.54952 7.86537 10.6664 8.31336 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 9.10397 3.89035 6.92671 12.6165 6.92828 8.87449 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 6.29634 12.1192 8.20715 8.44385 4.55137 9.87172 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 6.29634 5.3154 6.16081 6.18763 7.36889 6.18601 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 9.91321 8.60326 8.82676 10.0998 6.3084 8.14887 numMergedOcc 0
17 mol 127 unq 1 iso 0 dist 9.91321 8.60326 8.82676 9.42513 12.4721 9.30299 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 5.25894 4.90475 5.36351 8.7366 6.6218 7.7059 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 4.80778 13.46 8.75049 9.84918 5.58281 6.80239 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 6.58803 13.7612 8.75049 11.3707 5.58281 6.80239 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 9.96967 12.9605 8.75049 11.8159 5.58281 6.80239 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 6.31523 4.64588 8.75049 5.82404 5.58281 6.80239 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 9.06801 11.1874 8.86966 13.1529 8.18329 5.87555 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 9.06801 11.1874 8.86966 8.07256 5.97115 6.70283 numMergedOcc 0
25 mol 152 unq 2 iso 0 dist 9.06801 11.1874 8.86966 12.6103 4.36394 8.67331 numMergedOcc 0
26 mol 152 unq 3 iso 0 dist 9.06801 8.36099 5.7527 13.1529 8.18329 8.87437 numMergedOcc 0
27 mol 152 unq 4 iso 0 dist 9.06801 8.36099 5.7527 8.07256 5.97115 7.16148 numMergedOcc 0
28 mol 152 unq 5 iso 0 dist 9.06801 8.36099 5.7527 12.6103 4.36394 8.05741 numMergedOcc 0
29 mol 167 unq 0 iso 0 dist 6.00793 8.66436 5.72735 5.59806 6.38496 9.87651 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 8.49856 4.27736 6.62757 12.4261 13.4456 9.29945 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 9.33272 14.7094 9.83935 9.44405 4.527 7.54065 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 9.33272 14.7094 9.83935 21.4848 13.3944 9.70748 numMergedOcc 0
33 mol 186 unq 2 iso 0 dist 9.33272 14.7094 9.83935 14.1867 9.6018 8.87694 numMergedOcc 0
34 mol 186 unq 3 iso 0 dist 9.34835 10.176 9.28036 10.8878 6.61139 9.70748 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 8.71535 5.44171 9.18589 10.0587 10.3659 8.41436 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 8.71535 5.44171 9.18589 13.3065 10.4355 8.92474 numMergedOcc 0
37 mol 249 unq 0 iso 0 dist 5.68936 4.24014 7.27415 6.37672 5.40456 6.18582 numMergedOcc 0
