0 mol 69 unq 0 iso 0 dist 8.53232 6.39837 7.33408 9.44358 8.12966 9.44164 numMergedOcc 0
1 mol 69 unq 1 iso 0 dist 8.53232 9.91575 9.92138 9.44358 8.12966 8.14119 numMergedOcc 0
2 mol 148 unq 0 iso 0 dist 8.72028 8.50992 6.18528 4.55126 5.34451 4.23703 numMergedOcc 0
3 mol 148 unq 1 iso 0 dist 8.72028 8.50992 6.18528 10.7501 9.74966 6.5387 numMergedOcc 0
4 mol 150 unq 0 iso 0 dist 8.83046 8.87115 6.13554 5.40743 6.6175 4.0525 numMergedOcc 0
5 mol 150 unq 1 iso 0 dist 8.83046 8.87115 6.13554 11.2265 9.87914 6.67151 numMergedOcc 0
6 mol 156 unq 0 iso 0 dist 5.56994 5.24063 4.65525 6.02972 8.34508 4.50134 numMergedOcc 0
7 mol 180 unq 0 iso 0 dist 9.85529 14.3079 7.8826 10.7068 8.86377 5.46268 numMergedOcc 0
8 mol 180 unq 1 iso 0 dist 9.85529 14.3079 7.8826 13.984 8.47156 9.01948 numMergedOcc 0
9 mol 180 unq 2 iso 0 dist 8.6127 5.88782 7.8826 7.9151 8.86377 5.46268 numMergedOcc 0
10 mol 180 unq 3 iso 0 dist 8.6127 5.88782 7.8826 3.74384 8.47156 9.01948 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 8.8328 8.11056 6.63046 5.02351 4.35909 5.90964 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 8.8328 8.11056 6.63046 12.774 5.77393 6.18164 numMergedOcc 0
13 mol 202 unq 0 iso 0 dist 5.91997 4.19181 7.56242 6.53133 9.86258 6.07597 numMergedOcc 0
14 mol 202 unq 1 iso 0 dist 5.91997 4.19181 7.56242 5.93479 9.39364 9.76748 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.54031 4.55979 7.19185 11.0704 7.96759 9.11754 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 6.35905 8.52222 7.19185 8.25829 7.96759 9.11754 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 9.95731 6.35303 7.82527 9.55761 7.0166 4.84006 numMergedOcc 0
18 mol 220 unq 3 iso 0 dist 9.95731 6.35303 7.82527 15.3908 8.75468 13.2493 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 7.47768 5.00251 9.38614 5.86409 8.76889 10.6703 numMergedOcc 0
20 mol 279 unq 1 iso 0 dist 7.47768 5.00251 9.38614 10.6288 6.37469 10.7016 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 9.20713 5.333 8.6446 11.3632 8.78148 9.64395 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 9.20713 5.333 8.6446 5.56783 8.33415 6.59466 numMergedOcc 0
