0 mol 54 unq 0 iso 0 dist 7.51978 10.6593 5.59773 10.6355 9.5589 13.9079 7.34695 5.65405 6.10175 14.4402 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.51978 10.6593 5.59773 6.43082 6.83299 10.4238 7.34695 5.65405 6.10175 10.5929 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 7.51978 10.6593 5.59773 11.7347 8.10861 10.1356 7.34695 5.65405 6.10175 6.54183 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 5.87387 5.6579 8.42445 6.4595 7.5732 7.18757 11.8821 9.52181 8.592 11.8382 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 9.41387 10.6263 7.70533 6.54872 9.84395 6.29427 11.6976 5.34484 5.24519 8.81172 numMergedOcc 0
5 mol 117 unq 1 iso 0 dist 9.41387 10.6263 7.70533 9.3855 7.90328 14.3476 11.6976 5.34484 5.24519 11.6152 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 5.09114 12.2043 8.33083 6.01457 8.37808 12.4383 14.9426 11.9943 9.44209 18.0518 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 6.07676 5.90964 7.44191 6.05039 8.03334 9.60754 6.63046 5.32859 4.35909 11.0615 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 6.07676 6.18164 6.00053 6.05039 8.03334 11.1879 6.63046 5.32859 5.77393 11.0615 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 6.83122 12.2514 8.49704 9.3424 9.65138 12.4611 9.68994 5.68711 5.69733 13.6328 numMergedOcc 0
10 mol 214 unq 1 iso 0 dist 6.83122 12.2514 8.49704 12.2622 7.14453 11.832 9.68994 5.68711 5.69733 11.6154 numMergedOcc 0
11 mol 214 unq 2 iso 0 dist 6.83122 12.2514 8.49704 6.75833 8.85478 10.644 9.68994 5.68711 5.69733 11.5105 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 8.93637 15.653 9.8711 14.8074 9.23153 4.90657 12.9092 5.1021 8.58709 6.21273 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.82174 10.7991 9.75174 10.4397 6.57393 13.477 11.1305 6.53984 6.32593 12.6391 numMergedOcc 0
14 mol 249 unq 0 iso 0 dist 6.42827 6.06312 7.29898 8.22485 7.57994 6.6173 10.5445 8.68833 5.66519 10.291 numMergedOcc 0
15 mol 249 unq 1 iso 0 dist 6.42827 6.06312 7.29898 6.77698 6.18582 8.95486 10.5445 8.68833 5.66519 12.7977 numMergedOcc 0
16 mol 249 unq 2 iso 0 dist 6.42827 10.3054 8.91685 8.22485 7.57994 5.25611 10.5445 8.68833 6.50067 10.291 numMergedOcc 0
17 mol 249 unq 3 iso 0 dist 6.42827 10.3054 8.91685 6.77698 6.18582 9.66184 10.5445 8.68833 6.50067 12.7977 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 9.78185 11.3788 9.73021 17.5012 8.33025 16.5881 19.0873 14.8036 8.04265 19.1239 numMergedOcc 0
19 mol 252 unq 1 iso 0 dist 9.78185 11.3788 9.73021 17.5012 8.33025 16.5881 17.2313 14.864 9.42193 20.6773 numMergedOcc 0
20 mol 252 unq 2 iso 0 dist 9.78185 11.3788 9.73021 16.8096 9.2288 12.5855 19.0873 14.8036 8.04265 15.1557 numMergedOcc 0
21 mol 252 unq 3 iso 0 dist 9.78185 11.3788 9.73021 16.8096 9.2288 12.5855 17.2313 14.864 9.42193 19.2417 numMergedOcc 0
22 mol 252 unq 4 iso 0 dist 9.78185 11.3788 9.73021 6.79692 7.19638 5.26867 19.0873 14.8036 8.04265 13.0796 numMergedOcc 0
23 mol 252 unq 5 iso 0 dist 9.78185 11.3788 9.73021 6.79692 7.19638 5.26867 17.2313 14.864 9.42193 13.4304 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.27977 14.4082 8.13489 13.1217 9.70696 5.51096 12.4699 5.31331 8.66917 12.6214 numMergedOcc 0
