0 mol 8 unq 0 iso 0 dist 7.46102 12.3138 7.3915 14.2233 8.79272 7.12263 10.4489 8.53529 5.65816 7.27018 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.11056 5.36722 6.72502 12.4527 11.2106 9.40479 11.095 8.60554 6.99746 4.90592 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.11056 5.36722 6.72502 12.4527 11.2106 9.40479 6.66757 9.44691 7.05541 8.16324 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.11056 5.36722 6.72502 10.9853 5.97304 9.38831 14.5388 12.9284 10.025 9.69752 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.11056 5.36722 6.72502 10.9853 5.97304 9.38831 11.095 8.60554 6.99746 9.36461 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.5819 7.07175 8.65802 11.0321 7.23437 7.39754 4.00923 7.52354 5.8102 8.29345 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.02717 4.92962 5.72642 11.1443 7.21418 8.71286 13.9604 12.13 9.18958 8.85881 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.44385 9.79485 7.99857 9.15988 4.99056 8.03035 4.01593 9.11344 6.96805 8.8562 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.44385 9.79485 7.99857 9.15988 4.99056 8.03035 13.1254 12.7677 13.3975 7.91683 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 5.63005 9.79485 8.56342 9.15988 3.78311 8.03035 4.01593 6.52773 6.96805 8.8562 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 5.63005 9.79485 8.56342 9.15988 3.78311 8.03035 13.1254 9.23858 13.3975 7.91683 numMergedOcc 0
11 mol 119 unq 4 iso 0 dist 5.63005 6.81112 6.37542 9.15988 3.78311 7.6968 4.01593 6.52773 4.86811 8.8562 numMergedOcc 0
12 mol 119 unq 5 iso 0 dist 5.63005 6.81112 6.37542 9.15988 3.78311 7.6968 13.1254 9.23858 8.00229 7.91683 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 7.81337 6.99491 9.29384 12.6106 15.7796 7.76594 10.7072 14.9021 5.66194 5.39061 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 8.30654 6.29937 8.41611 10.9428 10.8441 5.73236 6.01193 9.14266 5.99865 6.95372 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 9.63873 4.9482 8.38738 11.5745 6.94217 7.3546 20.1281 15.035 15.9955 9.79069 numMergedOcc 0
16 mol 163 unq 1 iso 0 dist 9.63873 4.9482 8.38738 11.5745 6.94217 7.3546 9.83529 13.4342 5.87447 9.27496 numMergedOcc 0
17 mol 237 unq 0 iso 0 dist 9.5822 6.08522 7.42587 9.80232 13.1083 9.84466 11.5107 16.5198 10.634 6.11495 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 5.73834 10.6333 9.53063 11.329 7.42673 6.47194 16.8966 15.8417 8.09074 9.91199 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 7.36905 5.7394 7.52281 8.28871 4.48907 5.74568 14.7332 11.0482 11.5512 7.21655 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 6.83408 5.7394 6.42588 8.28871 10.1591 5.74568 14.7332 17.025 11.5512 7.21655 numMergedOcc 0
