0 mol 24 unq 0 iso 0 dist 5.22014 6.40189 3.73215 7.14863 6.36381 9.49646 10.212 7.27472 8.87744 5.80023 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.93454 9.06898 3.39994 3.93956 9.81143 9.78839 10.6266 7.18022 6.24711 9.84195 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.06898 7.93454 3.39994 3.93956 9.78839 9.81143 10.6266 6.24711 7.18022 9.84195 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 9.55954 7.06277 7.04263 9.72874 7.55644 12.2036 6.529 6.53308 7.47974 6.46605 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.13521 9.61144 6.02822 12.0992 9.43496 14.672 4.78289 7.06939 10.9241 9.56471 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.44426 7.63284 9.6331 9.91645 8.3505 7.34638 9.04817 5.10496 9.89095 4.75138 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.44426 7.63284 9.6331 9.91645 8.3505 7.34638 4.70157 5.92242 7.02507 10.4417 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 5.44426 7.63284 9.6331 9.91645 8.3505 7.34638 6.21302 5.2571 12.7417 11.3628 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 5.44426 7.63284 9.6331 9.91645 8.3505 7.34638 11.2075 8.7497 17.1287 13.9599 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 7.63284 5.44426 9.6331 9.91645 7.34638 8.3505 4.70157 7.02507 5.92242 10.4417 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 7.63284 5.44426 9.6331 7.54723 6.0995 8.32269 4.70157 7.02507 5.92242 9.63267 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 5.33967 5.93561 7.49425 8.86634 6.67635 13.1156 5.15479 7.86666 6.29161 10.0698 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 5.33967 5.93561 7.49425 8.86634 6.67635 13.1156 14.949 9.77497 15.7676 11.8455 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 9.21978 6.17349 11.044 11.9272 8.42219 16.5482 10.3475 6.39384 13.4105 5.24961 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 9.21978 6.17349 11.044 11.9272 8.42219 16.5482 6.86762 9.42082 7.69765 11.8122 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 8.62413 8.4375 5.94312 4.04119 6.53559 8.23699 5.57978 5.51197 6.69691 6.43966 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 8.62413 8.4375 5.94312 10.1824 8.09774 11.4776 5.57978 5.51197 6.69691 5.56946 numMergedOcc 0
17 mol 129 unq 2 iso 0 dist 8.62413 6.93102 9.74141 4.04119 6.53559 7.90844 5.57978 5.51197 8.86944 6.43966 numMergedOcc 0
18 mol 129 unq 3 iso 0 dist 8.62413 6.93102 9.74141 10.1824 8.09774 14.427 5.57978 5.51197 8.86944 5.56946 numMergedOcc 0
19 mol 129 unq 4 iso 0 dist 6.93102 8.62413 9.74141 4.04119 7.90844 6.53559 5.57978 8.86944 5.51197 6.43966 numMergedOcc 0
20 mol 129 unq 5 iso 0 dist 6.93102 8.4375 5.35495 4.04119 7.90844 8.23699 5.57978 8.86944 6.69691 6.43966 numMergedOcc 0
21 mol 213 unq 0 iso 0 dist 5.81317 9.27411 3.48075 4.10002 9.45658 12.9138 5.69131 7.94911 10.5818 7.05959 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 9.65996 9.13412 4.99426 11.7004 7.78796 11.3673 6.39438 9.74118 11.3379 6.94727 numMergedOcc 0
